#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 3.72 0.31 2.12 1.81 -1.26 -4.86 118.95 120.79 2oq3 s ARG 2 Ca 0.00 1.81 0.04 0.00 -1.72 0.00 0.00 55.73 55.86 2oq3 s ARG 2 Cb 0.00 -4.11 0.64 0.00 -0.45 0.00 0.00 34.95 31.03 2oq3 s ARG 2 CO 0.00 -1.40 1.87 -0.07 -0.68 0.00 0.00 175.30 175.02 2oq3 h LEU 3 N 12.15 0.83 -2.21 2.53 -0.00 -1.78 -1.80 115.31 125.02 2oq3 h LEU 3 Ca -0.37 0.03 0.01 0.00 -0.00 0.00 0.00 57.88 57.56 2oq3 h LEU 3 Cb 1.18 -0.14 -0.00 0.00 -0.00 0.00 0.00 40.66 41.70 2oq3 h LEU 3 CO 0.99 0.46 0.27 0.28 -0.00 0.00 0.00 178.44 180.44 2oq3 h SER 4 N 0.90 0.00 0.27 -0.43 0.02 -1.90 -0.14 113.55 112.28 2oq3 h SER 4 Ca 0.45 0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 61.29 2oq3 h SER 4 Cb 0.47 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.00 2oq3 h SER 4 CO -0.21 0.00 -0.41 -0.78 -1.14 0.00 0.00 176.83 174.29 2oq3 h ASP 5 N 0.00 0.20 0.83 3.07 3.58 -1.72 -3.32 116.42 119.06 2oq3 h ASP 5 Ca 0.02 -0.08 -0.19 0.00 0.42 0.00 0.00 57.03 57.20 2oq3 h ASP 5 Cb 0.56 -0.05 -0.03 0.00 1.72 0.00 0.00 39.33 41.52 2oq3 h ASP 5 CO -0.00 0.59 -1.27 1.88 -2.88 0.00 0.00 179.24 177.57 2oq3 h TYR 6 N 0.16 0.00 -3.13 0.28 0.05 -1.20 -3.41 116.97 109.72 2oq3 h TYR 6 Ca 0.01 0.00 -0.66 0.00 0.05 0.00 0.00 58.73 58.13 2oq3 h TYR 6 Cb 0.80 0.00 -0.16 0.00 1.01 0.00 0.00 36.73 38.38 2oq3 h TYR 6 CO 0.01 0.71 0.25 -0.06 -1.05 0.00 0.00 178.16 178.03 2oq3 s PHE 7 N -2.83 2.93 0.00 4.88 0.40 -1.23 -0.25 117.98 121.88 2oq3 s PHE 7 Ca -0.02 -0.45 -0.04 0.00 -0.60 0.00 0.00 56.93 55.83 2oq3 s PHE 7 Cb 0.08 -3.82 -0.02 0.00 0.51 0.00 0.00 43.02 39.77 2oq3 s PHE 7 CO 0.80 -1.22 0.88 -1.00 0.70 0.00 0.00 175.22 175.38 2oq3 h PRO 8 N 9.17 -0.13 -2.59 0.24 0.13 -1.81 -3.47 132.00 133.54 2oq3 h PRO 8 Ca -0.27 0.01 0.06 0.00 -0.87 0.00 0.00 66.00 64.93 2oq3 h PRO 8 Cb 1.09 0.03 -0.13 0.00 0.13 0.00 0.00 31.00 32.11 2oq3 h PRO 8 CO 1.04 -0.08 0.37 -2.00 -0.23 0.00 0.00 178.00 177.10 2oq3 s GLU 9 N -2.95 1.06 -1.38 0.86 2.12 -1.26 -4.98 118.70 112.18 2oq3 s GLU 9 Ca -0.02 -0.42 0.00 0.00 0.36 0.00 0.00 54.97 54.89 2oq3 s GLU 9 Cb 0.00 0.47 0.00 0.00 0.26 0.00 0.00 34.13 34.86 2oq3 s GLU 9 CO 0.06 -0.47 0.00 0.43 -0.54 0.00 0.00 175.26 174.74 2oq3 n SER 10 N -0.32 -3.80 -0.76 -1.70 7.64 -1.26 -4.81 113.62 108.61 2oq3 n SER 10 Ca -0.11 0.29 0.05 0.00 1.01 0.00 0.00 58.87 60.10 2oq3 n SER 10 Cb 0.63 -3.43 0.21 0.00 -1.01 0.00 0.00 64.21 60.61 2oq3 n SER 10 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2oq3 n SER 11 N -0.93 2.87 -3.96 6.43 7.64 -1.26 -4.73 113.62 119.69 2oq3 n SER 11 Ca -0.14 -3.37 -0.22 0.00 1.01 0.00 0.00 58.87 56.15 2oq3 n SER 11 Cb 0.50 -0.55 -0.16 0.00 -1.01 0.00 0.00 64.21 62.99 2oq3 n SER 11 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 2oq3 s ILE 12 N -3.02 0.84 -0.03 0.44 1.01 -1.26 -0.40 121.20 118.79 2oq3 s ILE 12 Ca 0.40 -0.30 -0.16 0.00 0.00 0.00 0.00 60.65 60.59 2oq3 s ILE 12 Cb 0.35 -0.80 0.03 0.00 0.01 0.00 0.00 42.46 42.05 2oq3 s ILE 12 CO 0.03 0.29 0.34 -0.44 0.00 0.00 0.00 174.94 175.16 2oq3 s SER 13 N 0.80 -0.24 0.02 3.58 0.01 -0.18 -4.98 113.70 112.71 2oq3 s SER 13 Ca -0.13 0.18 0.07 0.00 1.31 0.00 0.00 55.95 57.39 2oq3 s SER 13 Cb -0.15 0.36 -0.02 0.00 0.21 0.00 0.00 66.02 66.42 2oq3 s SER 13 CO 0.02 -0.44 -0.22 -0.69 0.41 0.00 0.00 173.24 172.33 2oq3 s VAL 14 N -1.20 1.73 0.01 3.43 1.01 -1.26 -1.90 120.40 122.21 2oq3 s VAL 14 Ca -0.12 -1.09 -0.03 0.00 0.00 0.00 0.00 61.98 60.73 2oq3 s VAL 14 Cb -0.05 -1.47 -0.01 0.00 0.00 0.00 0.00 36.38 34.86 2oq3 s VAL 14 CO 0.04 0.35 0.05 -0.63 0.00 0.00 0.00 175.10 174.91 2oq3 s ILE 15 N -0.66 0.09 -0.01 2.22 1.01 0.05 -4.95 121.20 118.94 2oq3 s ILE 15 Ca 0.08 -0.72 -0.22 0.00 0.00 0.00 0.00 60.65 59.79 2oq3 s ILE 15 Cb -0.09 -0.32 -0.20 0.00 0.01 0.00 0.00 42.46 41.86 2oq3 s ILE 15 CO 0.01 -0.39 1.15 -0.74 0.00 0.00 0.00 174.94 174.97 2oq3 h HIS 16 N 4.63 0.37 -1.84 3.97 -0.00 -1.94 0.25 115.15 120.60 2oq3 h HIS 16 Ca -0.31 -0.17 -0.00 0.00 -0.00 0.00 0.00 60.37 59.89 2oq3 h HIS 16 Cb 1.20 -0.06 -0.22 0.00 -0.00 0.00 0.00 27.41 28.34 2oq3 h HIS 16 CO 0.60 0.90 0.29 -1.54 -0.00 0.00 0.00 177.93 178.18 2oq3 s SER 17 N -6.31 -0.60 0.67 3.26 1.04 -1.26 -0.98 113.70 109.52 2oq3 s SER 17 Ca -0.15 0.94 -0.12 0.00 0.48 0.00 0.00 55.95 57.11 2oq3 s SER 17 Cb 0.03 0.88 -0.00 0.00 0.10 0.00 0.00 66.02 67.03 2oq3 s SER 17 CO 0.76 -0.35 1.06 0.00 0.98 0.00 0.00 173.24 175.69 2oq3 s ALA 18 N -0.34 2.68 0.23 5.32 0.00 -1.26 -4.96 121.76 123.42 2oq3 s ALA 18 Ca -0.03 0.17 -0.07 0.00 0.00 0.00 0.00 51.96 52.04 2oq3 s ALA 18 Cb -0.03 -3.19 0.27 0.00 0.00 0.00 0.00 23.12 20.17 2oq3 s ALA 18 CO 0.02 -1.14 1.86 -0.22 0.00 0.00 0.00 175.76 176.28 2oq3 h LYS 19 N -0.44 0.97 0.00 0.00 3.64 -1.98 -3.47 116.57 115.29 2oq3 h LYS 19 Ca -0.45 -0.06 0.10 0.00 -1.27 0.00 0.00 60.65 58.98 2oq3 h LYS 19 Cb 1.21 -0.22 -0.02 0.00 -0.41 0.00 0.00 32.23 32.80 2oq3 h LYS 19 CO 0.57 0.64 0.41 -0.40 -2.27 0.00 0.00 179.45 178.40 2oq3 n ASP 20 N -4.60 -1.37 0.06 4.20 5.75 -1.26 -5.00 116.55 114.34 2oq3 n ASP 20 Ca 0.10 -1.76 0.02 0.00 -0.01 0.00 0.00 54.79 53.14 2oq3 n ASP 20 Cb 0.12 2.24 0.37 0.00 -1.03 0.00 0.00 41.12 42.82 2oq3 n ASP 20 CO 0.00 0.00 0.00 4.11 -0.11 0.00 0.00 177.20 181.20 2oq3 h TRP 21 N 1.74 0.39 -0.03 2.11 5.08 -1.90 0.12 115.95 123.47 2oq3 h TRP 21 Ca -0.21 -0.03 0.00 0.00 1.08 0.00 0.00 58.89 59.73 2oq3 h TRP 21 Cb 0.91 -0.12 -0.00 0.00 -3.00 0.00 0.00 29.16 26.95 2oq3 h TRP 21 CO 0.00 0.41 0.02 1.96 -1.28 0.00 0.00 178.44 179.54 2oq3 h GLN 22 N 0.37 0.03 -0.36 0.12 4.20 -1.97 -1.26 115.11 116.25 2oq3 h GLN 22 Ca 0.08 -0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.77 2oq3 h GLN 22 Cb 0.27 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.02 2oq3 h GLN 22 CO 0.01 0.04 0.13 1.49 -0.67 0.00 0.00 178.83 179.83 2oq3 h GLU 23 N 0.02 0.51 -0.10 1.46 4.57 -1.82 -2.30 114.58 116.93 2oq3 h GLU 23 Ca 0.01 -0.07 -0.10 0.00 -1.18 0.00 0.00 59.36 58.03 2oq3 h GLU 23 Cb 0.01 -0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 28.49 2oq3 h GLU 23 CO -0.00 0.43 -0.37 0.00 -1.18 0.00 0.00 179.01 177.89 2oq3 h ALA 24 N 1.64 1.19 -0.19 2.92 0.00 -0.18 0.25 119.26 124.90 2oq3 h ALA 24 Ca 0.13 -0.38 -0.04 0.00 0.00 0.00 0.00 54.91 54.61 2oq3 h ALA 24 Cb 0.12 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 2oq3 h ALA 24 CO -0.01 0.55 -0.06 0.82 0.00 0.00 0.00 179.25 180.55 2oq3 h ILE 25 N 0.17 1.29 -0.60 0.00 2.04 -0.76 -0.10 117.51 119.55 2oq3 h ILE 25 Ca 0.02 -1.05 0.06 0.00 1.00 0.00 0.00 64.86 64.88 2oq3 h ILE 25 Cb 0.74 1.60 -0.05 0.00 -0.74 0.00 0.00 36.82 38.37 2oq3 h ILE 25 CO 0.06 0.32 0.31 -0.78 0.00 0.00 0.00 178.15 178.05 2oq3 h ASP 26 N 0.08 0.44 0.60 1.72 3.58 -0.89 0.98 116.42 122.93 2oq3 h ASP 26 Ca 0.05 0.04 0.00 0.00 0.42 0.00 0.00 57.03 57.53 2oq3 h ASP 26 Cb 0.51 -0.05 0.00 0.00 1.72 0.00 0.00 39.33 41.51 2oq3 h ASP 26 CO 0.02 0.29 0.00 0.49 -2.88 0.00 0.00 179.24 177.16 2oq3 n PHE 27 N -4.85 0.67 0.39 0.28 3.72 0.83 0.02 117.46 118.52 2oq3 n PHE 27 Ca 0.07 0.28 0.12 0.00 -0.05 0.00 0.00 57.45 57.87 2oq3 n PHE 27 Cb 0.17 -0.94 0.22 0.00 -0.94 0.00 0.00 39.48 37.99 2oq3 n PHE 27 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 176.76 177.48 2oq3 h SER 28 N 0.00 0.00 0.00 4.37 0.02 0.11 -3.42 113.55 114.63 2oq3 h SER 28 Ca 0.00 -0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.91 2oq3 h SER 28 Cb 0.30 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.84 2oq3 h SER 28 CO 0.00 0.02 -0.32 0.23 -1.14 0.00 0.00 176.83 175.62 2oq3 n MET 29 N -2.61 3.20 -0.24 3.45 2.81 -0.42 -3.98 117.12 119.33 2oq3 n MET 29 Ca 0.04 0.00 0.08 0.00 -1.81 0.00 0.00 57.70 56.01 2oq3 n MET 29 Cb 0.49 -0.57 0.34 0.00 -0.71 0.00 0.00 33.22 32.77 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 0.96 0.00 2.03 3.04 -0.66 -0.52 116.25 121.11 2oq3 h VAL 30 Ca 0.00 -0.27 -0.09 0.00 -1.01 0.00 0.00 66.70 65.34 2oq3 h VAL 30 Cb 0.00 0.11 -0.01 0.00 -2.01 0.00 0.00 31.29 29.38 2oq3 h VAL 30 CO 0.00 0.14 -0.41 0.28 -1.01 0.00 0.00 177.57 176.57 2oq3 h SER 31 N 0.78 0.00 0.00 3.17 0.02 -1.84 0.81 113.55 116.49 2oq3 h SER 31 Ca 0.38 0.00 -0.24 0.00 -0.84 0.00 0.00 61.79 61.09 2oq3 h SER 31 Cb 0.41 0.00 0.02 0.00 0.14 0.00 0.00 62.40 62.97 2oq3 h SER 31 CO -0.15 0.41 -0.93 -0.07 -1.14 0.00 0.00 176.83 174.95 2oq3 h LEU 32 N 0.00 0.82 -0.48 5.07 3.38 -1.50 -3.22 115.31 119.38 2oq3 h LEU 32 Ca -0.00 -0.74 0.03 0.00 0.09 0.00 0.00 57.88 57.25 2oq3 h LEU 32 Cb 0.73 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.20 2oq3 h LEU 32 CO 0.05 1.45 0.27 0.25 0.09 0.00 0.00 178.44 180.56 2oq3 h LEU 33 N 0.26 0.43 -1.44 1.67 5.85 -0.50 0.66 115.31 122.24 2oq3 h LEU 33 Ca -0.12 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.62 2oq3 h LEU 33 Cb 1.60 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 42.52 2oq3 h LEU 33 CO 0.18 0.30 0.36 -0.78 -0.34 0.00 0.00 178.44 178.16 2oq3 h ASP 34 N 0.54 0.64 -0.52 1.25 3.58 -0.95 -1.10 116.42 119.86 2oq3 h ASP 34 Ca 0.20 -0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.63 2oq3 h ASP 34 Cb 0.04 -0.16 0.00 0.00 1.72 0.00 0.00 39.33 40.93 2oq3 h ASP 34 CO -0.10 0.47 0.00 0.29 -2.88 0.00 0.00 179.24 177.02 2oq3 n LYS 35 N -4.45 3.76 -4.05 0.28 5.02 -0.99 -4.93 118.16 112.80 2oq3 n LYS 35 Ca 0.05 -2.52 -0.33 0.00 -2.02 0.00 0.00 58.31 53.49 2oq3 n LYS 35 Cb 0.05 -1.96 -0.05 0.00 -0.02 0.00 0.00 35.03 33.06 2oq3 n LYS 35 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 2oq3 n ASN 36 N 0.74 -2.39 0.21 4.39 0.23 -0.42 -4.83 115.26 113.19 2oq3 n ASN 36 Ca 0.22 -0.86 0.14 0.00 -0.53 0.00 0.00 54.58 53.56 2oq3 n ASN 36 Cb 0.90 -2.03 0.51 0.00 -2.08 0.00 0.00 39.78 37.08 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 -0.94 0.00 -4.04 -2.53 -1.99 -1.11 -3.41 116.97 102.96 2oq3 h TYR 37 Ca -0.50 0.00 -0.13 0.00 2.00 0.00 0.00 58.73 60.10 2oq3 h TYR 37 Cb 1.33 0.00 -0.13 0.00 2.00 0.00 0.00 36.73 39.93 2oq3 h TYR 37 CO 0.71 0.00 -0.38 0.96 -0.00 0.00 0.00 178.16 179.45 2oq3 s ILE 38 N -3.43 0.05 0.43 -2.88 -4.36 -1.25 -0.70 121.20 109.07 2oq3 s ILE 38 Ca 0.04 -1.57 0.02 0.00 -0.26 0.00 0.00 60.65 58.88 2oq3 s ILE 38 Cb 0.09 -2.05 -0.00 0.00 1.25 0.00 0.00 42.46 41.74 2oq3 s ILE 38 CO 0.54 -0.21 0.63 -0.94 0.24 0.00 0.00 174.94 175.19 2oq3 s SER 39 N -3.02 5.83 0.37 4.36 1.04 -0.40 -4.64 113.70 117.23 2oq3 s SER 39 Ca 0.23 0.15 0.04 0.00 0.48 0.00 0.00 55.95 56.85 2oq3 s SER 39 Cb 0.04 -1.41 0.70 0.00 0.10 0.00 0.00 66.02 65.44 2oq3 s SER 39 CO 0.04 -0.67 2.03 -0.33 0.98 0.00 0.00 173.24 175.29 2oq3 h GLU 40 N 0.49 0.75 0.00 4.02 5.08 -1.94 -1.94 114.58 121.04 2oq3 h GLU 40 Ca -0.46 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 57.85 2oq3 h GLU 40 Cb 1.26 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 30.34 2oq3 h GLU 40 CO 0.56 0.50 -0.04 -2.95 -1.00 0.00 0.00 179.01 176.07 2oq3 h ASN 41 N 0.77 0.00 -0.64 1.42 7.08 -1.93 -2.41 115.58 119.87 2oq3 h ASN 41 Ca 0.21 0.00 -0.02 0.00 -3.08 0.00 0.00 56.30 53.41 2oq3 h ASN 41 Cb -0.09 0.00 -0.03 0.00 -2.08 0.00 0.00 38.32 36.12 2oq3 h ASN 41 CO -0.05 0.04 0.33 0.22 -2.08 0.00 0.00 177.43 175.90 2oq3 h TYR 42 N 0.00 0.90 -0.03 4.14 3.20 -1.57 0.91 116.97 124.53 2oq3 h TYR 42 Ca -0.00 -0.03 0.01 0.00 3.14 0.00 0.00 58.73 61.85 2oq3 h TYR 42 Cb 0.33 -0.28 -0.01 0.00 1.54 0.00 0.00 36.73 38.31 2oq3 h TYR 42 CO 0.00 0.67 -0.03 0.82 -1.64 0.00 0.00 178.16 177.98 2oq3 h ILE 43 N 0.88 0.91 0.00 1.81 5.03 -1.55 -2.78 117.51 121.81 2oq3 h ILE 43 Ca 0.22 0.00 -0.05 0.00 -0.12 0.00 0.00 64.86 64.91 2oq3 h ILE 43 Cb 0.08 0.91 -0.01 0.00 -3.03 0.00 0.00 36.82 34.78 2oq3 h ILE 43 CO -0.03 0.00 -0.25 -0.61 -0.68 0.00 0.00 178.15 176.58 2oq3 h GLN 44 N -0.04 0.00 -0.73 2.37 5.75 -1.41 -2.45 115.11 118.61 2oq3 h GLN 44 Ca 0.02 0.00 0.02 0.00 -0.15 0.00 0.00 58.65 58.54 2oq3 h GLN 44 Cb 0.07 0.00 -0.04 0.00 1.07 0.00 0.00 27.48 28.58 2oq3 h GLN 44 CO -0.05 0.25 0.47 0.00 -2.65 0.00 0.00 178.83 176.85 2oq3 h ALA 45 N 1.75 0.94 -0.16 3.38 0.00 -0.55 0.46 119.26 125.07 2oq3 h ALA 45 Ca -0.00 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 2oq3 h ALA 45 Cb 0.71 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 2oq3 h ALA 45 CO 0.03 0.30 -0.02 0.82 0.00 0.00 0.00 179.25 180.38 2oq3 h ILE 46 N 0.95 1.27 -0.75 0.00 2.04 -1.32 -3.07 117.51 116.64 2oq3 h ILE 46 Ca 0.28 -0.94 -0.00 0.00 1.00 0.00 0.00 64.86 65.20 2oq3 h ILE 46 Cb -0.06 1.57 -0.04 0.00 -0.74 0.00 0.00 36.82 37.56 2oq3 h ILE 46 CO -0.08 0.28 0.45 0.11 0.00 0.00 0.00 178.15 178.91 2oq3 h LYS 47 N 0.02 1.01 -0.30 2.37 1.57 -1.08 -0.81 116.57 119.35 2oq3 h LYS 47 Ca 0.04 -0.09 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 2oq3 h LYS 47 Cb 0.43 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.51 2oq3 h LYS 47 CO 0.01 0.71 0.19 0.22 -0.57 0.00 0.00 179.45 180.01 2oq3 h ASP 48 N 1.03 0.35 0.43 0.86 3.58 -0.85 -0.03 116.42 121.80 2oq3 h ASP 48 Ca 0.27 -0.03 -0.09 0.00 0.42 0.00 0.00 57.03 57.60 2oq3 h ASP 48 Cb -0.05 -0.09 -0.01 0.00 1.72 0.00 0.00 39.33 40.90 2oq3 h ASP 48 CO -0.05 0.28 -0.42 0.28 -2.88 0.00 0.00 179.24 176.45 2oq3 h SER 49 N 0.39 0.00 -0.81 2.28 0.02 -1.40 -1.11 113.55 112.91 2oq3 h SER 49 Ca 0.11 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 61.02 2oq3 h SER 49 Cb -0.01 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.49 2oq3 h SER 49 CO -0.02 0.42 0.36 0.74 -1.14 0.00 0.00 176.83 177.19 2oq3 h THR 50 N 0.00 1.26 -0.07 -2.27 2.02 -0.20 0.46 112.91 114.11 2oq3 h THR 50 Ca -0.00 -0.77 -0.02 0.00 0.77 0.00 0.00 66.41 66.39 2oq3 h THR 50 Cb 0.75 0.25 -0.00 0.00 -1.74 0.00 0.00 68.15 67.40 2oq3 h THR 50 CO 0.05 0.32 -0.02 0.40 0.37 0.00 0.00 175.52 176.65 2oq3 h ILE 51 N 1.17 1.29 -0.18 3.11 2.04 -0.66 -2.69 117.51 121.59 2oq3 h ILE 51 Ca 0.28 -0.91 -0.11 0.00 1.00 0.00 0.00 64.86 65.11 2oq3 h ILE 51 Cb 0.16 1.75 -0.01 0.00 -0.74 0.00 0.00 36.82 37.98 2oq3 h ILE 51 CO -0.03 0.25 -0.36 0.78 0.00 0.00 0.00 178.15 178.79 2oq3 h ASN 52 N -0.19 0.39 0.00 1.72 2.35 -0.87 -3.42 115.58 115.56 2oq3 h ASN 52 Ca 0.02 -0.16 0.00 0.00 -0.55 0.00 0.00 56.30 55.61 2oq3 h ASN 52 Cb 0.41 -0.11 0.00 0.00 0.05 0.00 0.00 38.32 38.67 2oq3 h ASN 52 CO 0.01 0.73 0.00 -3.20 -1.65 0.00 0.00 177.43 173.31 2oq3 n ASN 53 N -4.06 0.00 0.00 5.81 5.15 0.01 -5.08 115.26 117.09 2oq3 n ASN 53 Ca -0.01 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.97 2oq3 n ASN 53 Cb 0.46 0.09 0.00 0.00 -0.53 0.00 0.00 39.78 39.80 2oq3 n ASN 53 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2oq3 n GLY 54 N 0.42 1.50 3.05 8.20 0.00 -0.35 -4.48 105.19 113.53 2oq3 n GLY 54 Ca 0.00 -1.87 -0.52 0.00 0.00 0.00 0.00 46.02 43.63 2oq3 n GLY 54 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2oq3 n PRO 55 N -1.96 0.00 -0.34 1.61 -0.02 -1.26 -3.54 135.00 129.49 2oq3 n PRO 55 Ca 0.00 0.00 0.11 0.00 -2.02 0.00 0.00 63.50 61.59 2oq3 n PRO 55 Cb 0.00 -1.28 0.29 0.00 -0.02 0.00 0.00 33.50 32.49 2oq3 n PRO 55 CO 0.00 0.00 0.00 1.88 1.98 0.00 0.00 175.50 179.36 2oq3 h TYR 56 N 2.99 1.01 -3.26 6.00 -1.99 -1.90 -3.42 116.97 116.39 2oq3 h TYR 56 Ca -0.42 0.03 -0.21 0.00 2.00 0.00 0.00 58.73 60.13 2oq3 h TYR 56 Cb 1.21 -0.30 -0.29 0.00 2.00 0.00 0.00 36.73 39.35 2oq3 h TYR 56 CO 0.50 0.24 -0.55 0.71 -0.00 0.00 0.00 178.16 179.07 2oq3 s TYR 57 N -5.89 -0.19 -0.01 4.88 2.02 -1.26 -5.03 117.35 111.86 2oq3 s TYR 57 Ca -0.11 0.50 -0.00 0.00 -0.37 0.00 0.00 57.07 57.08 2oq3 s TYR 57 Cb 0.24 0.00 0.01 0.00 -0.40 0.00 0.00 41.96 41.81 2oq3 s TYR 57 CO 0.80 -0.14 0.02 0.42 -1.57 0.00 0.00 175.55 175.08 2oq3 s ILE 58 N 0.68 -0.01 0.00 2.71 -1.09 -1.26 -2.41 121.20 119.82 2oq3 s ILE 58 Ca -0.05 0.03 0.00 0.00 -2.23 0.00 0.00 60.65 58.40 2oq3 s ILE 58 Cb -0.07 -0.04 0.00 0.00 -1.58 0.00 0.00 42.46 40.77 2oq3 s ILE 58 CO -0.03 0.01 0.00 0.18 -1.23 0.00 0.00 174.94 173.87 2oq3 n LEU 59 N 3.24 0.56 -3.44 2.97 7.99 -0.58 -4.98 117.00 122.77 2oq3 n LEU 59 Ca -0.14 0.00 -0.12 0.00 -0.01 0.00 0.00 56.01 55.73 2oq3 n LEU 59 Cb 0.58 0.00 -0.02 0.00 -0.11 0.00 0.00 43.42 43.87 2oq3 n LEU 59 CO 0.25 0.09 0.45 0.00 -1.51 0.00 0.00 177.39 176.67 2oq3 s ALA 60 N -1.84 -1.65 -0.04 -1.18 0.00 -1.24 -5.04 121.76 110.78 2oq3 s ALA 60 Ca 0.00 0.65 -0.29 0.00 0.00 0.00 0.00 51.96 52.31 2oq3 s ALA 60 Cb 0.00 0.73 -0.08 0.00 0.00 0.00 0.00 23.12 23.77 2oq3 s ALA 60 CO 0.00 -0.72 2.05 -1.25 0.00 0.00 0.00 175.76 175.85 2oq3 s PRO 61 N -3.41 3.84 0.00 0.00 0.04 -1.26 -1.11 135.00 133.10 2oq3 s PRO 61 Ca 0.00 2.45 0.00 0.00 0.04 0.00 0.00 61.00 63.50 2oq3 s PRO 61 Cb -0.01 -4.23 0.00 0.00 0.04 0.00 0.00 34.50 30.30 2oq3 s PRO 61 CO -0.10 -1.31 0.00 0.41 0.04 0.00 0.00 177.00 176.04 2oq3 n GLY 62 N 4.92 0.78 2.91 0.56 0.00 -1.26 -4.98 105.19 108.12 2oq3 n GLY 62 Ca 0.23 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.00 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 -2.20 0.91 0.33 1.61 1.01 -0.27 -0.60 120.40 121.19 2oq3 s VAL 63 Ca 0.00 -0.25 0.06 0.00 0.00 0.00 0.00 61.98 61.79 2oq3 s VAL 63 Cb 0.00 -0.93 -0.06 0.00 0.00 0.00 0.00 36.38 35.38 2oq3 s VAL 63 CO 0.00 0.34 -0.01 0.00 0.00 0.00 0.00 175.10 175.43 2oq3 s ALA 64 N 1.50 2.56 -0.40 5.51 0.00 -0.17 -1.53 121.76 129.23 2oq3 s ALA 64 Ca 0.00 -2.05 0.09 0.00 0.00 0.00 0.00 51.96 50.00 2oq3 s ALA 64 Cb -0.13 0.32 0.28 0.00 0.00 0.00 0.00 23.12 23.59 2oq3 s ALA 64 CO -0.05 -0.15 0.65 -0.12 0.00 0.00 0.00 175.76 176.09 2oq3 n MET 65 N -0.71 0.80 -1.71 0.00 0.00 -1.01 -1.95 117.12 112.54 2oq3 n MET 65 Ca -0.04 -3.02 -0.38 0.00 0.00 0.00 0.00 57.70 54.25 2oq3 n MET 65 Cb 0.65 -1.36 0.05 0.00 0.00 0.00 0.00 33.22 32.56 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 1.08 1.42 -3.65 2.12 -0.02 -1.18 -4.48 135.00 130.30 2oq3 n PRO 66 Ca 0.20 0.53 -0.02 0.00 -2.02 0.00 0.00 63.50 62.19 2oq3 n PRO 66 Cb 0.59 -2.47 -0.03 0.00 -0.02 0.00 0.00 33.50 31.56 2oq3 n PRO 66 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 2oq3 s HIS 67 N -1.34 -0.01 0.08 6.00 5.04 -1.26 -2.47 115.29 121.32 2oq3 s HIS 67 Ca 0.74 0.02 0.03 0.00 -1.54 0.00 0.00 55.06 54.31 2oq3 s HIS 67 Cb -0.42 0.50 -0.03 0.00 0.04 0.00 0.00 32.58 32.67 2oq3 s HIS 67 CO 0.47 -0.02 -0.10 0.00 -2.34 0.00 0.00 174.74 172.76 2oq3 s ALA 68 N -1.52 0.95 0.47 1.58 0.00 -1.26 -4.84 121.76 117.14 2oq3 s ALA 68 Ca 0.11 -1.07 -0.23 0.00 0.00 0.00 0.00 51.96 50.77 2oq3 s ALA 68 Cb -0.01 0.03 -0.09 0.00 0.00 0.00 0.00 23.12 23.06 2oq3 s ALA 68 CO -0.05 -0.03 1.06 0.54 0.00 0.00 0.00 175.76 177.28 2oq3 n ARG 69 N 0.83 1.37 -0.30 0.00 5.12 -1.26 -4.84 116.66 117.57 2oq3 n ARG 69 Ca -0.18 0.50 0.13 0.00 -1.93 0.00 0.00 57.85 56.37 2oq3 n ARG 69 Cb 0.57 -2.17 0.29 0.00 -1.16 0.00 0.00 32.46 29.99 2oq3 n ARG 69 CO 0.00 0.00 0.00 -1.35 -1.93 0.00 0.00 177.63 174.35 2oq3 h PRO 70 N 1.37 0.15 0.00 5.56 0.11 -1.93 0.12 132.00 137.39 2oq3 h PRO 70 Ca -0.46 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2oq3 h PRO 70 Cb 1.33 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.41 2oq3 h PRO 70 CO 0.56 0.10 0.00 0.39 -0.21 0.00 0.00 178.00 178.84 2oq3 n GLU 71 N -5.28 0.15 0.19 1.05 1.02 -1.26 -1.14 120.64 115.37 2oq3 n GLU 71 Ca 0.22 0.57 0.06 0.00 -0.02 0.00 0.00 57.16 57.99 2oq3 n GLU 71 Cb 0.71 -1.91 0.31 0.00 -0.02 0.00 0.00 31.44 30.52 2oq3 n GLU 71 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2oq3 n GLY 73 N 0.42 -0.12 3.77 0.00 0.00 -0.88 -4.48 105.19 103.90 2oq3 n GLY 73 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 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 0.00 2.56 0.00 4.61 0.00 -0.29 -1.27 121.76 127.36 2oq3 s ALA 74 Ca 0.00 0.71 0.00 0.00 0.00 0.00 0.00 51.96 52.67 2oq3 s ALA 74 Cb 0.00 -3.35 0.00 0.00 0.00 0.00 0.00 23.12 19.77 2oq3 s ALA 74 CO 0.00 -1.07 0.00 1.28 0.00 0.00 0.00 175.76 175.97 2oq3 n LEU 75 N -1.90 0.23 -3.86 0.00 4.77 0.13 -4.85 117.00 111.52 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 0.51 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.53 2oq3 n LEU 75 CO 0.45 0.04 -0.10 -0.54 -1.33 0.00 0.00 177.39 175.91 2oq3 s LYS 76 N -1.42 0.79 -0.22 3.23 1.02 -0.25 -4.73 119.74 118.15 2oq3 s LYS 76 Ca 0.00 -0.86 -0.18 0.00 0.02 0.00 0.00 55.97 54.95 2oq3 s LYS 76 Cb 0.00 0.32 -0.03 0.00 -0.52 0.00 0.00 37.83 37.60 2oq3 s LYS 76 CO 0.00 -0.24 0.51 0.99 -0.92 0.00 0.00 175.35 175.69 2oq3 s THR 77 N -3.42 5.10 0.11 2.17 2.01 -1.26 -3.74 115.64 116.60 2oq3 s THR 77 Ca 0.02 0.91 -0.14 0.00 0.31 0.00 0.00 61.69 62.79 2oq3 s THR 77 Cb 0.03 -3.83 0.05 0.00 0.01 0.00 0.00 72.50 68.76 2oq3 s THR 77 CO -0.09 0.15 0.65 0.61 -0.69 0.00 0.00 174.62 175.26 2oq3 n GLY 78 N 4.06 0.83 3.40 4.40 0.00 -0.07 -4.95 105.19 112.87 2oq3 n GLY 78 Ca -0.05 -1.06 -0.12 0.00 0.00 0.00 0.00 46.02 44.79 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 -2.03 1.51 0.11 1.61 -1.94 0.66 -0.67 119.30 118.55 2oq3 s MET 79 Ca 0.15 -1.55 -0.11 0.00 -1.71 0.00 0.00 55.69 52.47 2oq3 s MET 79 Cb -0.02 0.38 0.01 0.00 2.01 0.00 0.00 34.83 37.22 2oq3 s MET 79 CO 0.03 -0.58 0.28 -1.12 -0.01 0.00 0.00 175.02 173.62 2oq3 s SER 80 N -3.14 -0.01 -0.06 3.03 0.01 -0.53 -4.37 113.70 108.62 2oq3 s SER 80 Ca 0.31 -0.55 -0.01 0.00 1.31 0.00 0.00 55.95 57.02 2oq3 s SER 80 Cb 0.02 0.40 0.03 0.00 0.21 0.00 0.00 66.02 66.68 2oq3 s SER 80 CO 0.14 -0.79 0.01 -0.22 0.41 0.00 0.00 173.24 172.79 2oq3 s LEU 81 N -2.85 0.59 -0.03 2.44 2.96 0.47 -0.42 118.68 121.83 2oq3 s LEU 81 Ca 0.05 -0.05 0.00 0.00 -0.22 0.00 0.00 54.13 53.91 2oq3 s LEU 81 Cb 0.04 -0.37 0.03 0.00 0.50 0.00 0.00 46.19 46.38 2oq3 s LEU 81 CO -0.11 -0.19 -0.00 -0.89 -1.32 0.00 0.00 176.35 173.84 2oq3 s THR 82 N 1.88 0.19 -0.02 3.68 2.01 -0.26 -1.01 115.64 122.11 2oq3 s THR 82 Ca 0.03 0.08 0.07 0.00 0.31 0.00 0.00 61.69 62.17 2oq3 s THR 82 Cb -0.12 -0.28 -0.02 0.00 0.01 0.00 0.00 72.50 72.09 2oq3 s THR 82 CO -0.04 0.15 -0.22 -0.22 -0.69 0.00 0.00 174.62 173.59 2oq3 s LEU 83 N 1.02 2.03 -0.19 4.42 2.96 -0.80 -0.84 118.68 127.29 2oq3 s LEU 83 Ca -0.10 -0.41 0.01 0.00 -0.22 0.00 0.00 54.13 53.41 2oq3 s LEU 83 Cb -0.14 -1.15 0.02 0.00 0.50 0.00 0.00 46.19 45.43 2oq3 s LEU 83 CO -0.02 0.26 -0.19 -0.76 -1.32 0.00 0.00 176.35 174.33 2oq3 s LEU 84 N -0.43 2.30 0.60 -0.68 1.02 0.51 -0.77 118.68 121.23 2oq3 s LEU 84 Ca 0.06 -0.73 0.32 0.00 0.02 0.00 0.00 54.13 53.80 2oq3 s LEU 84 Cb -0.09 -1.49 1.91 0.00 0.02 0.00 0.00 46.19 46.53 2oq3 s LEU 84 CO -0.00 -0.02 2.27 -0.33 0.02 0.00 0.00 176.35 178.29 2oq3 h GLU 85 N 7.92 0.00 -0.00 1.70 5.08 -0.33 -2.52 114.58 126.43 2oq3 h GLU 85 Ca -0.43 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.93 2oq3 h GLU 85 Cb 1.13 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.38 2oq3 h GLU 85 CO 0.62 0.00 -0.20 1.04 -1.00 0.00 0.00 179.01 179.47 2oq3 n GLN 86 N -3.73 5.04 -0.97 2.33 1.13 -0.16 -5.04 117.38 115.99 2oq3 n GLN 86 Ca -0.03 -0.06 0.13 0.00 -1.94 0.00 0.00 57.00 55.10 2oq3 n GLN 86 Cb 0.08 -0.75 -0.03 0.00 0.11 0.00 0.00 30.24 29.65 2oq3 n GLN 86 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2oq3 n GLY 87 N 1.05 -1.64 3.27 1.08 0.00 -0.95 -4.95 105.19 103.04 2oq3 n GLY 87 Ca 0.01 -1.13 -0.09 0.00 0.00 0.00 0.00 46.02 44.81 2oq3 n GLY 87 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2oq3 s VAL 88 N -1.51 0.11 -0.39 1.61 0.11 -0.79 -4.53 120.40 115.00 2oq3 s VAL 88 Ca 0.00 -0.98 -0.10 0.00 -2.93 0.00 0.00 61.98 57.97 2oq3 s VAL 88 Cb 0.00 -1.33 0.05 0.00 -1.53 0.00 0.00 36.38 33.56 2oq3 s VAL 88 CO 0.00 -0.49 0.22 -0.47 -3.33 0.00 0.00 175.10 171.03 2oq3 s TYR 89 N -3.85 3.27 0.17 1.54 5.04 -1.26 -0.87 117.35 121.39 2oq3 s TYR 89 Ca 0.05 -1.17 -0.30 0.00 -2.44 0.00 0.00 57.07 53.22 2oq3 s TYR 89 Cb 0.03 -2.61 -0.08 0.00 0.35 0.00 0.00 41.96 39.66 2oq3 s TYR 89 CO -0.10 -0.72 1.12 -0.06 -1.34 0.00 0.00 175.55 174.45 2oq3 s PHE 90 N 1.51 3.55 0.75 4.97 0.40 -1.26 -4.57 117.98 123.33 2oq3 s PHE 90 Ca 0.02 1.55 -0.13 0.00 -0.60 0.00 0.00 56.93 57.77 2oq3 s PHE 90 Cb -0.21 -3.31 0.05 0.00 0.51 0.00 0.00 43.02 40.06 2oq3 s PHE 90 CO 0.05 -0.76 1.14 -1.25 0.70 0.00 0.00 175.22 175.10 2oq3 s PRO 91 N -0.25 2.19 -0.95 0.24 0.04 -1.26 -3.82 135.00 131.18 2oq3 s PRO 91 Ca 0.51 1.46 0.00 0.00 0.04 0.00 0.00 61.00 63.00 2oq3 s PRO 91 Cb -0.30 -1.87 0.00 0.00 0.04 0.00 0.00 34.50 32.37 2oq3 s PRO 91 CO 0.35 -1.74 0.00 0.41 0.04 0.00 0.00 177.00 176.06 2oq3 n GLY 92 N -0.33 0.62 3.20 0.56 0.00 -1.26 -4.06 105.19 103.92 2oq3 n GLY 92 Ca 0.11 -0.54 -0.12 0.00 0.00 0.00 0.00 46.02 45.47 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 -2.75 0.86 0.28 1.61 2.47 -1.25 -4.45 114.94 111.72 2oq3 s ASN 93 Ca 0.00 -1.19 0.15 0.00 0.42 0.00 0.00 52.86 52.25 2oq3 s ASN 93 Cb 0.00 0.19 0.13 0.00 -1.45 0.00 0.00 41.25 40.12 2oq3 s ASN 93 CO 0.00 -0.63 1.47 -0.78 -3.72 0.00 0.00 177.10 173.44 2oq3 h ASP 94 N 2.76 0.00 -5.26 -4.21 3.58 -1.95 -3.48 116.42 107.86 2oq3 h ASP 94 Ca -0.36 0.00 -0.10 0.00 0.42 0.00 0.00 57.03 56.99 2oq3 h ASP 94 Cb 1.20 0.00 -0.13 0.00 1.72 0.00 0.00 39.33 42.12 2oq3 h ASP 94 CO 0.61 0.51 -0.33 -1.83 -2.88 0.00 0.00 179.24 175.33 2oq3 s GLU 95 N -3.03 1.12 0.36 0.28 1.03 -1.26 -5.15 118.70 112.05 2oq3 s GLU 95 Ca 0.03 -1.16 -0.25 0.00 0.03 0.00 0.00 54.97 53.62 2oq3 s GLU 95 Cb 0.08 0.37 -0.09 0.00 -0.80 0.00 0.00 34.13 33.69 2oq3 s GLU 95 CO 0.74 -0.40 1.03 -1.25 -1.33 0.00 0.00 175.26 174.05 2oq3 s PRO 96 N -3.96 4.34 -0.04 -4.83 0.04 -1.26 -4.62 135.00 124.68 2oq3 s PRO 96 Ca 0.16 1.52 -0.23 0.00 0.04 0.00 0.00 61.00 62.49 2oq3 s PRO 96 Cb 0.04 -2.71 -0.04 0.00 0.04 0.00 0.00 34.50 31.82 2oq3 s PRO 96 CO -0.01 0.02 0.67 0.42 0.04 0.00 0.00 177.00 178.14 2oq3 s ILE 97 N -1.57 4.97 -0.10 0.56 -1.09 -0.05 -4.07 121.20 119.85 2oq3 s ILE 97 Ca 0.54 1.40 0.16 0.00 -2.23 0.00 0.00 60.65 60.51 2oq3 s ILE 97 Cb -0.23 -4.01 -0.23 0.00 -1.58 0.00 0.00 42.46 36.41 2oq3 s ILE 97 CO 0.29 0.31 0.20 0.29 -1.23 0.00 0.00 174.94 174.80 2oq3 n LYS 98 N 3.37 0.99 -4.22 2.79 5.02 0.23 -1.89 118.16 124.45 2oq3 n LYS 98 Ca -0.03 -0.07 -0.20 0.00 -2.02 0.00 0.00 58.31 55.99 2oq3 n LYS 98 Cb 0.51 -1.42 -0.16 0.00 -0.02 0.00 0.00 35.03 33.94 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 -4.79 1.52 -0.07 -0.35 1.98 -0.70 -0.36 118.68 115.91 2oq3 s LEU 99 Ca -0.07 -0.14 0.01 0.00 -2.89 0.00 0.00 54.13 51.04 2oq3 s LEU 99 Cb 0.08 -0.45 0.02 0.00 0.66 0.00 0.00 46.19 46.49 2oq3 s LEU 99 CO 0.70 -0.01 -0.08 -0.76 -1.89 0.00 0.00 176.35 174.31 2oq3 s LEU 100 N 0.62 1.35 -0.40 -0.68 1.02 -0.02 -1.00 118.68 119.58 2oq3 s LEU 100 Ca -0.09 -0.23 -0.06 0.00 0.02 0.00 0.00 54.13 53.77 2oq3 s LEU 100 Cb -0.12 -0.68 0.09 0.00 0.02 0.00 0.00 46.19 45.50 2oq3 s LEU 100 CO 0.00 -0.05 0.21 -0.63 0.02 0.00 0.00 176.35 175.91 2oq3 s ILE 101 N 1.09 3.76 0.50 -0.59 1.01 -0.82 -1.10 121.20 125.05 2oq3 s ILE 101 Ca -0.07 -1.64 -0.22 0.00 0.00 0.00 0.00 60.65 58.72 2oq3 s ILE 101 Cb -0.14 -3.38 -0.06 0.00 0.01 0.00 0.00 42.46 38.88 2oq3 s ILE 101 CO -0.01 -0.53 1.23 -0.83 0.00 0.00 0.00 174.94 174.79 2oq3 s GLY 102 N 1.96 2.80 -0.04 6.18 0.00 0.43 -3.08 107.32 115.57 2oq3 s GLY 102 Ca 0.04 1.06 -0.03 0.00 0.00 0.00 0.00 44.72 45.78 2oq3 s GLY 102 CO -0.01 1.53 0.11 -2.27 0.00 0.00 0.00 173.10 172.46 2oq3 s LEU 103 N -3.29 1.43 0.05 0.66 0.20 -1.03 -1.46 118.68 115.24 2oq3 s LEU 103 Ca 0.67 0.23 0.04 0.00 0.69 0.00 0.00 54.13 55.77 2oq3 s LEU 103 Cb -0.32 0.36 -0.02 0.00 -0.43 0.00 0.00 46.19 45.77 2oq3 s LEU 103 CO 0.38 -0.06 -0.13 -0.94 -0.29 0.00 0.00 176.35 175.31 2oq3 s SER 104 N 0.27 1.52 -0.11 3.68 1.04 0.16 -4.40 113.70 115.87 2oq3 s SER 104 Ca -0.02 -0.53 -0.08 0.00 0.48 0.00 0.00 55.95 55.81 2oq3 s SER 104 Cb -0.03 -0.06 0.04 0.00 0.10 0.00 0.00 66.02 66.07 2oq3 s SER 104 CO -0.01 -0.04 0.27 0.00 0.98 0.00 0.00 173.24 174.43 2oq3 s ALA 105 N -1.08 -0.65 -0.12 5.32 0.00 -1.25 -0.89 121.76 123.10 2oq3 s ALA 105 Ca -0.02 0.90 0.25 0.00 0.00 0.00 0.00 51.96 53.10 2oq3 s ALA 105 Cb -0.09 -0.55 0.73 0.00 0.00 0.00 0.00 23.12 23.22 2oq3 s ALA 105 CO 0.02 -0.16 1.75 0.00 0.00 0.00 0.00 175.76 177.36 2oq3 h ALA 106 N 6.41 0.96 -2.56 0.00 0.00 -1.85 -3.39 119.26 118.83 2oq3 h ALA 106 Ca -0.32 -0.11 -0.12 0.00 0.00 0.00 0.00 54.91 54.36 2oq3 h ALA 106 Cb 1.18 -0.02 -0.17 0.00 0.00 0.00 0.00 17.79 18.78 2oq3 h ALA 106 CO 0.35 0.15 -0.48 0.34 0.00 0.00 0.00 179.25 179.61 2oq3 s ASP 107 N -6.09 0.15 0.37 0.00 2.15 -1.26 -4.91 116.67 107.09 2oq3 s ASP 107 Ca 0.03 -0.54 0.04 0.00 0.43 0.00 0.00 52.55 52.52 2oq3 s ASP 107 Cb 0.08 0.26 0.71 0.00 -0.30 0.00 0.00 42.92 43.66 2oq3 s ASP 107 CO 0.64 -0.55 2.02 0.00 -0.17 0.00 0.00 175.17 177.10 2oq3 h ALA 108 N 3.46 1.60 -0.01 3.66 0.00 -1.99 0.04 119.26 126.01 2oq3 h ALA 108 Ca -0.33 -0.05 -0.16 0.00 0.00 0.00 0.00 54.91 54.38 2oq3 h ALA 108 Cb 1.19 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.74 2oq3 h ALA 108 CO 0.52 0.37 -0.71 0.22 0.00 0.00 0.00 179.25 179.64 2oq3 h ASP 109 N 0.74 0.10 -0.55 0.00 3.58 -1.98 -0.93 116.42 117.38 2oq3 h ASP 109 Ca 0.20 -0.07 -0.07 0.00 0.42 0.00 0.00 57.03 57.51 2oq3 h ASP 109 Cb -0.07 -0.03 -0.02 0.00 1.72 0.00 0.00 39.33 40.93 2oq3 h ASP 109 CO -0.04 0.78 0.09 0.28 -2.88 0.00 0.00 179.24 177.47 2oq3 h SER 110 N 0.05 0.91 -0.06 2.28 0.02 -1.75 -0.17 113.55 114.83 2oq3 h SER 110 Ca -0.01 -0.20 0.01 0.00 -0.84 0.00 0.00 61.79 60.74 2oq3 h SER 110 Cb 1.26 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 63.56 2oq3 h SER 110 CO 0.10 0.92 0.01 -0.74 -1.14 0.00 0.00 176.83 175.98 2oq3 h HIS 111 N 0.90 0.02 -0.03 3.45 -0.00 -0.68 -1.08 115.15 117.73 2oq3 h HIS 111 Ca 0.18 0.00 0.03 0.00 -0.00 0.00 0.00 60.37 60.59 2oq3 h HIS 111 Cb 0.41 0.00 -0.04 0.00 -0.00 0.00 0.00 27.41 27.78 2oq3 h HIS 111 CO 0.03 0.01 -0.18 0.82 -0.00 0.00 0.00 177.93 178.61 2oq3 h ILE 112 N 0.04 0.57 -0.98 6.26 1.08 -0.86 0.48 117.51 124.09 2oq3 h ILE 112 Ca 0.03 0.00 0.01 0.00 -0.39 0.00 0.00 64.86 64.51 2oq3 h ILE 112 Cb 0.02 0.57 -0.05 0.00 -3.07 0.00 0.00 36.82 34.29 2oq3 h ILE 112 CO -0.04 0.00 0.65 1.23 -0.69 0.00 0.00 178.15 179.30 2oq3 h GLY 113 N -0.27 1.38 0.61 5.37 0.00 -0.86 0.69 103.07 109.98 2oq3 h GLY 113 Ca 0.06 -0.52 -0.01 0.00 0.00 0.00 0.00 47.33 46.87 2oq3 h GLY 113 CO -0.19 0.51 -0.08 0.00 0.00 0.00 0.00 176.54 176.78 2oq3 h ALA 114 N 1.39 -0.23 -0.54 3.60 0.00 -0.82 -2.53 119.26 120.13 2oq3 h ALA 114 Ca 0.36 -0.19 0.10 0.00 0.00 0.00 0.00 54.91 55.18 2oq3 h ALA 114 Cb -0.15 0.09 -0.08 0.00 0.00 0.00 0.00 17.79 17.65 2oq3 h ALA 114 CO -0.08 -0.44 0.05 0.82 0.00 0.00 0.00 179.25 179.61 2oq3 h ILE 115 N -0.63 0.62 0.00 0.00 1.08 -0.71 0.20 117.51 118.08 2oq3 h ILE 115 Ca -0.02 -0.06 0.00 0.00 -0.39 0.00 0.00 64.86 64.39 2oq3 h ILE 115 Cb 0.46 0.44 0.00 0.00 -3.07 0.00 0.00 36.82 34.65 2oq3 h ILE 115 CO 0.04 0.03 0.00 0.00 -0.69 0.00 0.00 178.15 177.53 2oq3 n GLN 116 N -5.19 0.00 -0.11 2.37 1.13 0.22 -0.72 117.38 115.08 2oq3 n GLN 116 Ca 0.07 0.31 -0.23 0.00 -1.94 0.00 0.00 57.00 55.21 2oq3 n GLN 116 Cb 0.29 -1.50 -0.11 0.00 0.11 0.00 0.00 30.24 29.03 2oq3 n GLN 116 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2oq3 n ALA 117 N -1.50 0.85 0.24 -1.58 0.00 -0.10 -4.42 120.51 114.00 2oq3 n ALA 117 Ca 0.03 -0.59 0.12 0.00 0.00 0.00 0.00 53.44 53.00 2oq3 n ALA 117 Cb 0.13 -0.45 0.54 0.00 0.00 0.00 0.00 19.45 19.66 2oq3 n ALA 117 CO 0.00 0.00 0.00 1.37 0.00 0.00 0.00 177.50 178.87 2oq3 h LEU 118 N -0.99 0.00 -2.07 0.00 8.10 -0.34 -1.10 115.31 118.90 2oq3 h LEU 118 Ca -0.41 0.00 -0.02 0.00 0.11 0.00 0.00 57.88 57.57 2oq3 h LEU 118 Cb 1.36 0.00 -0.00 0.00 -0.44 0.00 0.00 40.66 41.58 2oq3 h LEU 118 CO -0.24 0.15 -0.08 0.28 -4.11 0.00 0.00 178.44 174.43 2oq3 h SER 119 N 0.00 0.00 0.58 0.17 0.02 -1.15 -0.30 113.55 112.87 2oq3 h SER 119 Ca -0.00 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.93 2oq3 h SER 119 Cb 0.66 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.19 2oq3 h SER 119 CO 0.02 0.08 -0.10 -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 -1.40 -2.52 114.58 118.50 2oq3 h GLU 120 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2oq3 h GLU 120 Cb 0.21 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.86 2oq3 h GLU 120 CO 0.01 0.10 0.00 1.28 -1.16 0.00 0.00 179.01 179.24 2oq3 n LEU 121 N -3.39 0.14 0.19 1.33 4.77 -0.30 -4.58 117.00 115.16 2oq3 n LEU 121 Ca -0.01 0.10 0.14 0.00 -0.03 0.00 0.00 56.01 56.21 2oq3 n LEU 121 Cb 0.27 -0.40 0.60 0.00 -2.33 0.00 0.00 43.42 41.55 2oq3 n LEU 121 CO 0.29 -0.40 0.91 -0.07 -1.33 0.00 0.00 177.39 176.78 2oq3 h LEU 122 N 0.00 0.00 -3.62 2.23 3.38 -1.24 -2.27 115.31 113.79 2oq3 h LEU 122 Ca 0.00 0.00 -0.35 0.00 0.09 0.00 0.00 57.88 57.62 2oq3 h LEU 122 Cb 0.00 0.00 -0.21 0.00 0.09 0.00 0.00 40.66 40.54 2oq3 h LEU 122 CO 0.00 0.00 0.44 0.00 0.09 0.00 0.00 178.44 178.97 2oq3 s GLU 124 N -2.78 0.95 0.55 0.00 0.41 -0.86 -4.99 118.70 111.98 2oq3 s GLU 124 Ca 0.49 -0.42 0.26 0.00 -0.41 0.00 0.00 54.97 54.88 2oq3 s GLU 124 Cb 0.40 -1.96 1.55 0.00 -1.78 0.00 0.00 34.13 32.34 2oq3 s GLU 124 CO 0.10 -0.53 2.16 1.05 -0.49 0.00 0.00 175.26 177.55 2oq3 h GLU 125 N 8.19 0.00 -0.53 1.61 9.09 -1.84 -0.75 114.58 130.35 2oq3 h GLU 125 Ca -0.19 0.00 -0.04 0.00 0.05 0.00 0.00 59.36 59.18 2oq3 h GLU 125 Cb 1.11 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 28.19 2oq3 h GLU 125 CO 0.35 0.06 0.16 0.93 0.05 0.00 0.00 179.01 180.56 2oq3 h GLU 126 N 0.00 0.83 -0.30 1.06 5.08 -1.95 -2.20 114.58 117.10 2oq3 h GLU 126 Ca -0.00 -0.18 -0.10 0.00 -1.00 0.00 0.00 59.36 58.08 2oq3 h GLU 126 Cb 0.14 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 2oq3 h GLU 126 CO 0.01 0.77 -0.20 0.82 -1.00 0.00 0.00 179.01 179.41 2oq3 h ILE 127 N 0.74 1.30 -0.84 3.13 5.03 -1.56 -2.94 117.51 122.37 2oq3 h ILE 127 Ca 0.17 -1.33 0.10 0.00 -0.12 0.00 0.00 64.86 63.68 2oq3 h ILE 127 Cb 0.29 1.50 -0.07 0.00 -3.03 0.00 0.00 36.82 35.51 2oq3 h ILE 127 CO -0.00 0.43 0.48 -0.07 -0.68 0.00 0.00 178.15 178.30 2oq3 h LEU 128 N 0.42 0.68 -0.66 1.44 3.38 -0.86 0.06 115.31 119.77 2oq3 h LEU 128 Ca 0.06 0.05 -0.13 0.00 0.09 0.00 0.00 57.88 57.95 2oq3 h LEU 128 Cb 0.74 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.40 2oq3 h LEU 128 CO 0.05 0.38 -0.36 -0.33 0.09 0.00 0.00 178.44 178.28 2oq3 h GLU 129 N 0.80 0.63 -0.66 1.13 5.08 -1.44 0.34 114.58 120.45 2oq3 h GLU 129 Ca 0.41 -0.31 -0.08 0.00 -1.00 0.00 0.00 59.36 58.38 2oq3 h GLU 129 Cb 0.38 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.60 2oq3 h GLU 129 CO -0.25 0.90 0.10 1.96 -1.00 0.00 0.00 179.01 180.72 2oq3 h GLN 130 N 0.53 1.10 0.17 2.33 4.20 -0.87 -1.24 115.11 121.32 2oq3 h GLN 130 Ca 0.05 -0.30 -0.01 0.00 0.06 0.00 0.00 58.65 58.46 2oq3 h GLN 130 Cb 0.87 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 28.53 2oq3 h GLN 130 CO 0.08 1.01 -0.08 -0.07 -0.67 0.00 0.00 178.83 179.09 2oq3 h LEU 131 N 1.02 -0.20 0.00 1.46 3.38 -0.94 -1.53 115.31 118.51 2oq3 h LEU 131 Ca 0.20 -0.25 0.00 0.00 0.09 0.00 0.00 57.88 57.92 2oq3 h LEU 131 Cb 0.45 0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.25 2oq3 h LEU 131 CO 0.01 0.16 0.00 0.18 0.09 0.00 0.00 178.44 178.89 2oq3 n LEU 132 N -5.04 0.00 -0.01 1.67 4.77 0.09 -1.35 117.00 117.13 2oq3 n LEU 132 Ca -0.09 0.45 0.00 0.00 -0.03 0.00 0.00 56.01 56.35 2oq3 n LEU 132 Cb 0.23 -0.45 0.01 0.00 -2.33 0.00 0.00 43.42 40.88 2oq3 n LEU 132 CO 0.32 -0.37 0.47 0.35 -1.33 0.00 0.00 177.39 176.83 2oq3 n THR 133 N -1.45 0.90 -1.72 -5.08 -2.24 -0.48 -5.04 114.28 99.17 2oq3 n THR 133 Ca 0.02 -0.92 -0.43 0.00 -2.27 0.00 0.00 64.05 60.45 2oq3 n THR 133 Cb 0.06 0.53 -0.03 0.00 -2.10 0.00 0.00 70.33 68.79 2oq3 n THR 133 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2oq3 s ALA 134 N -0.94 3.02 -0.54 6.98 0.00 -0.46 -4.87 121.76 124.96 2oq3 s ALA 134 Ca 0.01 0.84 0.25 0.00 0.00 0.00 0.00 51.96 53.07 2oq3 s ALA 134 Cb 0.01 -3.98 0.91 0.00 0.00 0.00 0.00 23.12 20.05 2oq3 s ALA 134 CO 0.00 -2.37 1.75 0.77 0.00 0.00 0.00 175.76 175.92 2oq3 h SER 135 N 13.22 0.00 -5.12 0.00 0.02 -1.90 -3.47 113.55 116.31 2oq3 h SER 135 Ca -0.42 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 60.48 2oq3 h SER 135 Cb 1.22 0.00 -0.12 0.00 0.14 0.00 0.00 62.40 63.65 2oq3 h SER 135 CO 0.97 0.00 -0.09 -0.94 -1.14 0.00 0.00 176.83 175.63 2oq3 s SER 136 N -4.57 -0.18 0.32 3.07 1.04 -1.26 -5.01 113.70 107.11 2oq3 s SER 136 Ca 0.07 -0.51 0.02 0.00 0.48 0.00 0.00 55.95 56.01 2oq3 s SER 136 Cb 0.10 0.51 0.59 0.00 0.10 0.00 0.00 66.02 67.32 2oq3 s SER 136 CO 0.50 -0.94 1.94 -0.08 0.98 0.00 0.00 173.24 175.64 2oq3 h GLU 137 N 2.34 0.91 -0.83 4.02 4.81 -1.91 -1.98 114.58 121.94 2oq3 h GLU 137 Ca -0.31 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 58.86 2oq3 h GLU 137 Cb 1.25 -0.21 -0.04 0.00 0.63 0.00 0.00 28.75 30.38 2oq3 h GLU 137 CO 0.43 0.60 0.51 0.87 -0.73 0.00 0.00 179.01 180.70 2oq3 h LYS 138 N 0.94 1.12 -0.42 1.92 1.79 -1.96 -0.96 116.57 119.00 2oq3 h LYS 138 Ca 0.34 -0.09 -0.07 0.00 -2.18 0.00 0.00 60.65 58.64 2oq3 h LYS 138 Cb 0.15 -0.24 -0.02 0.00 -1.58 0.00 0.00 32.23 30.54 2oq3 h LYS 138 CO -0.11 0.78 -0.04 0.37 -1.08 0.00 0.00 179.45 179.36 2oq3 h GLN 139 N 1.14 0.71 -0.21 3.15 4.15 -1.77 0.11 115.11 122.39 2oq3 h GLN 139 Ca 0.30 -0.20 -0.03 0.00 0.77 0.00 0.00 58.65 59.50 2oq3 h GLN 139 Cb -0.07 -0.08 -0.01 0.00 0.21 0.00 0.00 27.48 27.54 2oq3 h GLN 139 CO -0.06 0.75 0.03 -0.07 -1.93 0.00 0.00 178.83 177.55 2oq3 h LEU 140 N 0.66 0.33 -1.71 -2.39 3.38 -0.87 -2.05 115.31 112.66 2oq3 h LEU 140 Ca 0.13 -0.26 0.06 0.00 0.09 0.00 0.00 57.88 57.90 2oq3 h LEU 140 Cb 0.47 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.11 2oq3 h LEU 140 CO 0.02 0.51 0.31 0.00 0.09 0.00 0.00 178.44 179.38 2oq3 h ALA 141 N 0.83 1.97 -0.50 1.53 0.00 -0.98 -1.54 119.26 120.57 2oq3 h ALA 141 Ca 0.06 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.84 2oq3 h ALA 141 Cb 0.32 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 2oq3 h ALA 141 CO 0.00 -0.06 -0.14 0.22 0.00 0.00 0.00 179.25 179.27 2oq3 h ASP 142 N 0.36 0.99 -0.30 0.00 3.58 -0.32 0.12 116.42 120.86 2oq3 h ASP 142 Ca 0.20 -0.37 -0.09 0.00 0.42 0.00 0.00 57.03 57.19 2oq3 h ASP 142 Cb 0.35 -0.27 -0.02 0.00 1.72 0.00 0.00 39.33 41.11 2oq3 h ASP 142 CO -0.05 1.13 -0.13 0.40 -2.88 0.00 0.00 179.24 177.72 2oq3 h ILE 143 N 0.84 1.26 0.13 2.25 2.04 -0.73 0.02 117.51 123.32 2oq3 h ILE 143 Ca 0.12 -1.17 0.00 0.00 1.00 0.00 0.00 64.86 64.82 2oq3 h ILE 143 Cb 0.71 1.09 -0.01 0.00 -0.74 0.00 0.00 36.82 37.86 2oq3 h ILE 143 CO 0.05 0.40 -0.12 0.40 0.00 0.00 0.00 178.15 178.88 2oq3 h ILE 144 N 0.66 0.73 0.00 -0.67 1.08 -1.10 -3.02 117.51 115.19 2oq3 h ILE 144 Ca 0.11 0.00 -0.03 0.00 -0.39 0.00 0.00 64.86 64.55 2oq3 h ILE 144 Cb 0.59 0.73 -0.00 0.00 -3.07 0.00 0.00 36.82 35.07 2oq3 h ILE 144 CO 0.04 0.00 -0.15 0.28 -0.69 0.00 0.00 178.15 177.63 2oq3 h SER 145 N -0.27 0.00 0.01 1.72 0.02 -0.21 -1.10 113.55 113.71 2oq3 h SER 145 Ca 0.00 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2oq3 h SER 145 Cb 0.25 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.79 2oq3 h SER 145 CO -0.02 0.15 -0.00 -0.09 -1.14 0.00 0.00 176.83 175.72 2oq3 h ARG 146 N 0.00 0.00 -0.01 3.45 2.43 -0.88 -3.47 114.38 115.90 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 0.31 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.86 2oq3 h ARG 146 CO 0.02 0.00 0.00 0.41 -1.51 0.00 0.00 179.97 178.89