#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2oq3 n ARG 2 N 0.00 2.16 0.01 2.12 3.00 -1.26 -4.78 116.66 117.91 2oq3 n ARG 2 Ca 0.00 0.66 0.03 0.00 -0.01 0.00 0.00 57.85 58.54 2oq3 n ARG 2 Cb 0.00 -3.14 0.41 0.00 0.00 0.00 0.00 32.46 29.73 2oq3 n ARG 2 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.63 177.56 2oq3 h LEU 3 N 13.71 0.46 0.00 0.55 -0.00 -1.84 -0.57 115.31 127.62 2oq3 h LEU 3 Ca -0.43 -0.02 0.00 0.00 -0.00 0.00 0.00 57.88 57.43 2oq3 h LEU 3 Cb 1.24 -0.12 0.00 0.00 -0.00 0.00 0.00 40.66 41.79 2oq3 h LEU 3 CO 0.96 0.36 0.01 -1.54 -0.00 0.00 0.00 178.44 178.23 2oq3 n SER 4 N -4.45 0.00 -0.79 -0.43 3.41 -1.26 -0.51 113.62 109.59 2oq3 n SER 4 Ca 0.03 0.28 0.07 0.00 -0.26 0.00 0.00 58.87 58.99 2oq3 n SER 4 Cb 0.08 -0.28 0.19 0.00 -0.26 0.00 0.00 64.21 63.95 2oq3 n SER 4 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2oq3 n ASP 5 N -1.28 3.25 0.00 4.04 2.03 -0.22 -4.62 116.55 119.76 2oq3 n ASP 5 Ca 0.00 -2.16 0.00 0.00 0.52 0.00 0.00 54.79 53.15 2oq3 n ASP 5 Cb 0.01 -0.32 0.00 0.00 -0.72 0.00 0.00 41.12 40.09 2oq3 n ASP 5 CO 0.00 0.00 0.00 -1.22 -1.92 0.00 0.00 177.20 174.06 2oq3 n TYR 6 N 0.53 0.00 -2.41 -0.67 4.02 -0.35 -4.99 117.16 113.29 2oq3 n TYR 6 Ca 0.15 0.00 -0.43 0.00 -0.01 0.00 0.00 57.90 57.61 2oq3 n TYR 6 Cb 0.53 0.18 -0.02 0.00 -0.02 0.00 0.00 39.34 40.01 2oq3 n TYR 6 CO 0.00 0.00 0.00 0.12 -1.01 0.00 0.00 176.86 175.97 2oq3 s PHE 7 N -1.82 2.77 0.00 -0.72 5.36 0.33 -1.43 117.98 122.47 2oq3 s PHE 7 Ca 0.00 0.94 0.00 0.00 -0.96 0.00 0.00 56.93 56.91 2oq3 s PHE 7 Cb 0.00 -3.65 0.00 0.00 -0.34 0.00 0.00 43.02 39.03 2oq3 s PHE 7 CO 0.00 -1.76 0.06 -0.35 -1.46 0.00 0.00 175.22 171.71 2oq3 n PRO 8 N 6.87 0.00 -3.63 10.12 -0.04 -1.26 -4.43 135.00 142.63 2oq3 n PRO 8 Ca 0.14 0.06 -0.05 0.00 -0.04 0.00 0.00 63.50 63.62 2oq3 n PRO 8 Cb 0.45 -0.62 -0.02 0.00 -0.04 0.00 0.00 33.50 33.28 2oq3 n PRO 8 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 2oq3 s GLU 9 N -0.25 0.89 -1.09 0.54 2.12 -1.26 -4.99 118.70 114.67 2oq3 s GLU 9 Ca 0.00 -0.43 0.00 0.00 0.36 0.00 0.00 54.97 54.90 2oq3 s GLU 9 Cb 0.00 0.35 0.00 0.00 0.26 0.00 0.00 34.13 34.74 2oq3 s GLU 9 CO 0.00 -0.40 0.00 0.43 -0.54 0.00 0.00 175.26 174.75 2oq3 n SER 10 N -0.36 -4.87 -0.73 -1.70 7.64 -1.26 -4.79 113.62 107.55 2oq3 n SER 10 Ca -0.07 0.25 0.03 0.00 1.01 0.00 0.00 58.87 60.10 2oq3 n SER 10 Cb 0.61 -3.72 0.20 0.00 -1.01 0.00 0.00 64.21 60.29 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 -0.76 2.07 -4.29 6.43 7.64 -1.26 -4.85 113.62 118.60 2oq3 n SER 11 Ca -0.10 -3.76 -0.27 0.00 1.01 0.00 0.00 58.87 55.74 2oq3 n SER 11 Cb 0.52 -0.55 -0.14 0.00 -1.01 0.00 0.00 64.21 63.02 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 -3.20 1.86 0.09 0.44 1.01 -1.26 -0.84 121.20 119.31 2oq3 s ILE 12 Ca 0.40 -1.27 -0.22 0.00 0.00 0.00 0.00 60.65 59.56 2oq3 s ILE 12 Cb 0.37 -1.60 0.05 0.00 0.01 0.00 0.00 42.46 41.29 2oq3 s ILE 12 CO -0.04 0.28 0.53 -0.44 0.00 0.00 0.00 174.94 175.27 2oq3 s SER 13 N -1.19 -0.45 -0.00 3.58 0.01 -1.01 -5.00 113.70 109.65 2oq3 s SER 13 Ca 0.09 0.04 0.07 0.00 1.31 0.00 0.00 55.95 57.46 2oq3 s SER 13 Cb -0.09 0.52 -0.02 0.00 0.21 0.00 0.00 66.02 66.64 2oq3 s SER 13 CO 0.02 -0.82 -0.23 -0.69 0.41 0.00 0.00 173.24 171.92 2oq3 s VAL 14 N -3.10 1.84 0.01 3.43 1.01 -1.26 -2.17 120.40 120.17 2oq3 s VAL 14 Ca -0.02 -1.06 0.02 0.00 0.00 0.00 0.00 61.98 60.92 2oq3 s VAL 14 Cb -0.00 -1.54 -0.01 0.00 0.00 0.00 0.00 36.38 34.82 2oq3 s VAL 14 CO -0.07 0.46 -0.06 -0.63 0.00 0.00 0.00 175.10 174.80 2oq3 s ILE 15 N -0.60 0.44 0.20 2.22 1.01 0.30 -4.96 121.20 119.81 2oq3 s ILE 15 Ca 0.09 -0.57 -0.02 0.00 0.00 0.00 0.00 60.65 60.15 2oq3 s ILE 15 Cb -0.09 -0.44 -0.04 0.00 0.01 0.00 0.00 42.46 41.90 2oq3 s ILE 15 CO -0.00 -0.09 1.53 0.45 0.00 0.00 0.00 174.94 176.83 2oq3 h HIS 16 N 5.40 0.68 -1.24 3.97 3.86 -1.95 0.12 115.15 125.99 2oq3 h HIS 16 Ca -0.31 -0.23 0.17 0.00 -1.16 0.00 0.00 60.37 58.84 2oq3 h HIS 16 Cb 1.20 -0.13 -0.28 0.00 1.06 0.00 0.00 27.41 29.26 2oq3 h HIS 16 CO 0.51 0.94 0.78 -1.54 0.86 0.00 0.00 177.93 179.48 2oq3 s SER 17 N -6.90 -0.17 0.48 2.45 1.04 -1.26 -2.57 113.70 106.77 2oq3 s SER 17 Ca -0.07 0.24 -0.09 0.00 0.48 0.00 0.00 55.95 56.51 2oq3 s SER 17 Cb 0.12 0.21 -0.05 0.00 0.10 0.00 0.00 66.02 66.40 2oq3 s SER 17 CO 0.83 -0.12 0.83 0.00 0.98 0.00 0.00 173.24 175.77 2oq3 s ALA 18 N -0.64 3.31 0.29 5.32 0.00 -1.26 -4.99 121.76 123.80 2oq3 s ALA 18 Ca 0.05 -0.28 -0.01 0.00 0.00 0.00 0.00 51.96 51.72 2oq3 s ALA 18 Cb -0.02 -2.74 0.44 0.00 0.00 0.00 0.00 23.12 20.79 2oq3 s ALA 18 CO -0.07 -0.27 1.87 -0.22 0.00 0.00 0.00 175.76 177.07 2oq3 h LYS 19 N 0.57 0.87 0.00 0.00 1.63 -1.98 -3.47 116.57 114.20 2oq3 h LYS 19 Ca -0.47 -0.14 0.08 0.00 -0.85 0.00 0.00 60.65 59.28 2oq3 h LYS 19 Cb 1.19 -0.15 -0.01 0.00 -0.60 0.00 0.00 32.23 32.66 2oq3 h LYS 19 CO 0.62 0.72 0.45 -3.47 -3.45 0.00 0.00 179.45 174.32 2oq3 n ASP 20 N -4.32 -1.88 -0.05 4.20 2.03 -1.26 -4.96 116.55 110.32 2oq3 n ASP 20 Ca 0.05 -2.13 0.01 0.00 0.52 0.00 0.00 54.79 53.24 2oq3 n ASP 20 Cb 0.17 3.08 0.32 0.00 -0.72 0.00 0.00 41.12 43.98 2oq3 n ASP 20 CO 0.00 0.00 0.00 4.11 -1.92 0.00 0.00 177.20 179.39 2oq3 h TRP 21 N 1.95 0.64 -0.17 -0.67 5.08 -1.90 0.13 115.95 121.00 2oq3 h TRP 21 Ca -0.28 -0.02 0.05 0.00 1.08 0.00 0.00 58.89 59.72 2oq3 h TRP 21 Cb 1.16 -0.20 -0.06 0.00 -3.00 0.00 0.00 29.16 27.05 2oq3 h TRP 21 CO 0.00 0.49 -0.27 1.96 -1.28 0.00 0.00 178.44 179.34 2oq3 h GLN 22 N 0.65 -0.31 -0.26 0.12 4.20 -1.96 -0.39 115.11 117.17 2oq3 h GLN 22 Ca 0.16 0.02 -0.08 0.00 0.06 0.00 0.00 58.65 58.81 2oq3 h GLN 22 Cb 0.10 0.07 -0.01 0.00 0.30 0.00 0.00 27.48 27.94 2oq3 h GLN 22 CO -0.02 -0.20 -0.20 1.49 -0.67 0.00 0.00 178.83 179.22 2oq3 h GLU 23 N -0.32 0.47 -0.10 1.46 4.57 -1.73 -2.34 114.58 116.60 2oq3 h GLU 23 Ca 0.11 -0.16 -0.07 0.00 -1.18 0.00 0.00 59.36 58.06 2oq3 h GLU 23 Cb 0.49 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 29.03 2oq3 h GLU 23 CO -0.35 0.65 -0.26 0.00 -1.18 0.00 0.00 179.01 177.86 2oq3 h ALA 24 N 1.36 1.38 -0.10 2.92 0.00 -0.09 0.25 119.26 124.99 2oq3 h ALA 24 Ca 0.07 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.67 2oq3 h ALA 24 Cb 0.59 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 2oq3 h ALA 24 CO 0.04 0.43 -0.01 0.82 0.00 0.00 0.00 179.25 180.54 2oq3 h ILE 25 N 0.15 1.27 -0.49 0.00 1.08 -0.64 0.07 117.51 118.95 2oq3 h ILE 25 Ca 0.02 -0.86 0.05 0.00 -0.39 0.00 0.00 64.86 63.68 2oq3 h ILE 25 Cb 0.55 1.65 -0.05 0.00 -3.07 0.00 0.00 36.82 35.91 2oq3 h ILE 25 CO 0.04 0.25 0.22 -0.78 -0.69 0.00 0.00 178.15 177.18 2oq3 h ASP 26 N -0.12 0.28 0.24 1.72 3.58 -0.85 -0.35 116.42 120.92 2oq3 h ASP 26 Ca 0.03 0.04 -0.04 0.00 0.42 0.00 0.00 57.03 57.47 2oq3 h ASP 26 Cb 0.39 -0.01 -0.01 0.00 1.72 0.00 0.00 39.33 41.42 2oq3 h ASP 26 CO 0.01 0.20 -0.21 -0.26 -2.88 0.00 0.00 179.24 176.09 2oq3 h PHE 27 N 0.43 0.00 0.00 0.28 0.04 -0.49 0.33 116.94 117.53 2oq3 h PHE 27 Ca 0.22 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 60.97 2oq3 h PHE 27 Cb 0.18 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.32 2oq3 h PHE 27 CO -0.13 0.21 -0.12 0.77 -0.60 0.00 0.00 178.31 178.44 2oq3 h SER 28 N 0.00 0.00 0.00 2.17 0.02 0.75 -3.37 113.55 113.12 2oq3 h SER 28 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2oq3 h SER 28 Cb 0.39 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.93 2oq3 h SER 28 CO 0.03 0.12 -0.65 0.23 -1.14 0.00 0.00 176.83 175.42 2oq3 n MET 29 N -3.45 2.06 -0.12 3.45 2.81 -0.51 -4.25 117.12 117.12 2oq3 n MET 29 Ca -0.01 0.00 0.09 0.00 -1.81 0.00 0.00 57.70 55.97 2oq3 n MET 29 Cb 0.28 -0.80 0.43 0.00 -0.71 0.00 0.00 33.22 32.42 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 0.97 -0.38 2.03 3.04 -0.56 0.05 116.25 121.40 2oq3 h VAL 30 Ca 0.00 -0.19 -0.04 0.00 -1.01 0.00 0.00 66.70 65.46 2oq3 h VAL 30 Cb 0.00 0.35 -0.02 0.00 -2.01 0.00 0.00 31.29 29.61 2oq3 h VAL 30 CO 0.00 0.10 0.08 0.28 -1.01 0.00 0.00 177.57 177.03 2oq3 h SER 31 N 0.57 0.58 -0.38 3.17 0.02 -1.85 -0.12 113.55 115.55 2oq3 h SER 31 Ca 0.28 -0.24 -0.07 0.00 -0.84 0.00 0.00 61.79 60.92 2oq3 h SER 31 Cb 0.37 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 62.73 2oq3 h SER 31 CO -0.09 0.67 -0.00 -0.07 -1.14 0.00 0.00 176.83 176.21 2oq3 h LEU 32 N 0.47 0.72 -0.16 5.07 3.38 -1.46 -1.01 115.31 122.33 2oq3 h LEU 32 Ca 0.12 -0.17 -0.00 0.00 0.09 0.00 0.00 57.88 57.91 2oq3 h LEU 32 Cb 0.32 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 2oq3 h LEU 32 CO 0.00 0.79 0.09 0.25 0.09 0.00 0.00 178.44 179.66 2oq3 h LEU 33 N 0.71 0.20 -0.89 1.67 5.85 -0.65 0.13 115.31 122.32 2oq3 h LEU 33 Ca 0.14 -0.08 -0.08 0.00 0.84 0.00 0.00 57.88 58.70 2oq3 h LEU 33 Cb 0.44 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.39 2oq3 h LEU 33 CO 0.02 0.23 -0.02 -0.78 -0.34 0.00 0.00 178.44 177.55 2oq3 h ASP 34 N 0.16 0.77 0.00 1.25 3.58 -0.72 -1.54 116.42 119.91 2oq3 h ASP 34 Ca 0.06 -0.19 0.00 0.00 0.42 0.00 0.00 57.03 57.31 2oq3 h ASP 34 Cb 0.07 -0.21 0.00 0.00 1.72 0.00 0.00 39.33 40.92 2oq3 h ASP 34 CO -0.01 0.85 0.00 0.29 -2.88 0.00 0.00 179.24 177.49 2oq3 n LYS 35 N -4.21 0.83 -2.51 0.28 4.76 -0.41 -4.90 118.16 112.00 2oq3 n LYS 35 Ca 0.02 0.00 -0.10 0.00 -2.87 0.00 0.00 58.31 55.36 2oq3 n LYS 35 Cb 0.31 -1.39 -0.00 0.00 -1.84 0.00 0.00 35.03 32.10 2oq3 n LYS 35 CO 0.00 0.00 0.00 0.27 -1.37 0.00 0.00 177.40 176.30 2oq3 n ASN 36 N -0.89 -3.17 0.26 4.39 2.04 -0.58 -4.87 115.26 112.44 2oq3 n ASN 36 Ca 0.16 0.23 0.13 0.00 -0.44 0.00 0.00 54.58 54.66 2oq3 n ASN 36 Cb 0.07 -2.72 0.70 0.00 -2.53 0.00 0.00 39.78 35.30 2oq3 n ASN 36 CO 0.00 0.00 0.00 1.88 -0.44 0.00 0.00 177.26 178.70 2oq3 h TYR 37 N -0.06 0.00 -4.82 -2.53 0.05 -1.00 -3.41 116.97 105.21 2oq3 h TYR 37 Ca -0.23 0.00 -0.45 0.00 0.05 0.00 0.00 58.73 58.10 2oq3 h TYR 37 Cb 1.17 0.00 -0.13 0.00 1.01 0.00 0.00 36.73 38.78 2oq3 h TYR 37 CO 0.75 0.12 -0.46 0.96 -1.05 0.00 0.00 178.16 178.48 2oq3 s ILE 38 N -4.00 0.00 0.27 -2.88 -4.36 -1.21 -0.74 121.20 108.29 2oq3 s ILE 38 Ca -0.02 -1.96 0.11 0.00 -0.26 0.00 0.00 60.65 58.53 2oq3 s ILE 38 Cb 0.12 -2.52 -0.05 0.00 1.25 0.00 0.00 42.46 41.26 2oq3 s ILE 38 CO 0.58 0.00 -0.18 -0.44 0.24 0.00 0.00 174.94 175.14 2oq3 s SER 39 N -3.36 3.44 0.43 4.36 0.01 -0.01 -4.67 113.70 113.90 2oq3 s SER 39 Ca 0.40 -1.05 0.09 0.00 1.31 0.00 0.00 55.95 56.70 2oq3 s SER 39 Cb 0.02 -0.28 0.94 0.00 0.21 0.00 0.00 66.02 66.92 2oq3 s SER 39 CO 0.27 -0.02 2.08 -0.33 0.41 0.00 0.00 173.24 175.65 2oq3 h GLU 40 N 2.29 0.43 -0.13 12.44 5.08 -1.93 -0.73 114.58 132.03 2oq3 h GLU 40 Ca -0.40 -0.03 0.01 0.00 -1.00 0.00 0.00 59.36 57.95 2oq3 h GLU 40 Cb 1.25 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 30.40 2oq3 h GLU 40 CO 0.61 0.28 0.09 -0.97 -1.00 0.00 0.00 179.01 178.03 2oq3 h ASN 41 N 0.44 0.09 -0.68 1.42 -1.24 -1.94 -2.66 115.58 111.01 2oq3 h ASN 41 Ca 0.12 -0.00 -0.01 0.00 0.71 0.00 0.00 56.30 57.12 2oq3 h ASN 41 Cb -0.05 -0.02 -0.03 0.00 0.73 0.00 0.00 38.32 38.95 2oq3 h ASN 41 CO -0.03 0.07 0.40 0.22 -1.29 0.00 0.00 177.43 176.80 2oq3 h TYR 42 N 0.11 0.92 0.01 0.67 3.20 -0.72 0.11 116.97 121.27 2oq3 h TYR 42 Ca 0.05 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.92 2oq3 h TYR 42 Cb 0.08 -0.30 -0.01 0.00 1.54 0.00 0.00 36.73 38.05 2oq3 h TYR 42 CO -0.00 0.63 -0.03 0.82 -1.64 0.00 0.00 178.16 177.95 2oq3 h ILE 43 N 0.93 0.93 0.00 1.81 5.03 -1.59 -2.86 117.51 121.76 2oq3 h ILE 43 Ca 0.24 0.00 -0.05 0.00 -0.12 0.00 0.00 64.86 64.93 2oq3 h ILE 43 Cb -0.00 0.93 -0.01 0.00 -3.03 0.00 0.00 36.82 34.71 2oq3 h ILE 43 CO -0.04 0.00 -0.26 -0.61 -0.68 0.00 0.00 178.15 176.56 2oq3 h GLN 44 N -0.05 0.00 -0.56 2.37 5.75 -1.29 -2.40 115.11 118.92 2oq3 h GLN 44 Ca 0.01 0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.50 2oq3 h GLN 44 Cb 0.06 0.00 -0.03 0.00 1.07 0.00 0.00 27.48 28.58 2oq3 h GLN 44 CO -0.02 0.26 0.30 0.00 -2.65 0.00 0.00 178.83 176.72 2oq3 h ALA 45 N 1.74 0.72 -0.34 3.38 0.00 -0.58 0.11 119.26 124.29 2oq3 h ALA 45 Ca -0.00 -0.10 -0.07 0.00 0.00 0.00 0.00 54.91 54.74 2oq3 h ALA 45 Cb 0.64 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 2oq3 h ALA 45 CO 0.03 0.25 -0.05 0.82 0.00 0.00 0.00 179.25 180.30 2oq3 h ILE 46 N 0.76 1.27 -0.51 0.00 2.04 -1.33 -0.73 117.51 119.01 2oq3 h ILE 46 Ca 0.20 -1.07 -0.00 0.00 1.00 0.00 0.00 64.86 64.98 2oq3 h ILE 46 Cb 0.06 1.29 -0.02 0.00 -0.74 0.00 0.00 36.82 37.40 2oq3 h ILE 46 CO -0.03 0.35 0.31 0.11 0.00 0.00 0.00 178.15 178.89 2oq3 h LYS 47 N 0.42 0.69 -0.56 2.37 1.57 -1.14 0.01 116.57 119.92 2oq3 h LYS 47 Ca 0.09 -0.06 -0.05 0.00 -1.87 0.00 0.00 60.65 58.76 2oq3 h LYS 47 Cb 0.53 -0.15 -0.03 0.00 0.08 0.00 0.00 32.23 32.67 2oq3 h LYS 47 CO 0.03 0.51 0.15 0.22 -0.57 0.00 0.00 179.45 179.78 2oq3 h ASP 48 N 0.68 0.80 -0.61 0.86 3.58 -0.69 -0.53 116.42 120.52 2oq3 h ASP 48 Ca 0.18 -0.14 -0.05 0.00 0.42 0.00 0.00 57.03 57.45 2oq3 h ASP 48 Cb -0.01 -0.21 -0.03 0.00 1.72 0.00 0.00 39.33 40.80 2oq3 h ASP 48 CO -0.03 0.78 0.22 0.28 -2.88 0.00 0.00 179.24 177.60 2oq3 h SER 49 N 0.83 0.89 -0.16 2.28 0.02 -0.60 -0.49 113.55 116.33 2oq3 h SER 49 Ca 0.18 -0.14 -0.09 0.00 -0.84 0.00 0.00 61.79 60.90 2oq3 h SER 49 Cb 0.29 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.58 2oq3 h SER 49 CO -0.00 0.82 -0.19 0.74 -1.14 0.00 0.00 176.83 177.06 2oq3 h THR 50 N 0.94 1.26 -0.41 -2.27 2.02 0.04 -2.27 112.91 112.22 2oq3 h THR 50 Ca 0.21 -1.19 -0.05 0.00 0.77 0.00 0.00 66.41 66.16 2oq3 h THR 50 Cb 0.24 1.22 -0.02 0.00 -1.74 0.00 0.00 68.15 67.85 2oq3 h THR 50 CO -0.01 0.39 0.07 0.40 0.37 0.00 0.00 175.52 176.74 2oq3 h ILE 51 N 0.52 1.24 -0.34 3.11 2.04 -0.70 -2.42 117.51 120.95 2oq3 h ILE 51 Ca 0.08 -0.86 -0.06 0.00 1.00 0.00 0.00 64.86 65.02 2oq3 h ILE 51 Cb 0.61 1.02 -0.02 0.00 -0.74 0.00 0.00 36.82 37.69 2oq3 h ILE 51 CO 0.04 0.30 -0.06 0.78 0.00 0.00 0.00 178.15 179.21 2oq3 h ASN 52 N 0.52 0.53 0.00 1.72 2.35 -0.54 -3.42 115.58 116.74 2oq3 h ASN 52 Ca 0.12 -0.12 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2oq3 h ASN 52 Cb 0.36 -0.14 0.00 0.00 0.05 0.00 0.00 38.32 38.59 2oq3 h ASN 52 CO 0.01 0.64 0.00 -3.20 -1.65 0.00 0.00 177.43 173.23 2oq3 n ASN 53 N -4.23 0.00 0.00 5.81 5.15 -0.95 -5.10 115.26 115.94 2oq3 n ASN 53 Ca 0.01 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.99 2oq3 n ASN 53 Cb 0.29 0.21 0.00 0.00 -0.53 0.00 0.00 39.78 39.75 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 0.01 -0.21 3.68 8.20 0.00 -0.91 -4.87 105.19 111.08 2oq3 n GLY 54 Ca 0.00 -1.74 -0.42 0.00 0.00 0.00 0.00 46.02 43.86 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 -1.42 4.14 0.34 1.61 0.04 -1.26 -3.83 135.00 134.61 2oq3 s PRO 55 Ca 0.00 2.62 0.24 0.00 0.04 0.00 0.00 61.00 63.90 2oq3 s PRO 55 Cb 0.00 -3.88 0.55 0.00 0.04 0.00 0.00 34.50 31.22 2oq3 s PRO 55 CO 0.00 -0.90 1.68 1.88 0.04 0.00 0.00 177.00 179.70 2oq3 h TYR 56 N 9.60 0.00 -3.15 0.56 -1.99 -1.92 -3.41 116.97 116.66 2oq3 h TYR 56 Ca -0.48 0.00 -0.60 0.00 2.00 0.00 0.00 58.73 59.65 2oq3 h TYR 56 Cb 1.23 0.00 -0.40 0.00 2.00 0.00 0.00 36.73 39.56 2oq3 h TYR 56 CO 0.87 0.00 -0.74 0.71 -0.00 0.00 0.00 178.16 179.00 2oq3 s TYR 57 N -3.16 2.06 0.01 4.88 1.51 -1.26 -5.07 117.35 116.32 2oq3 s TYR 57 Ca 0.09 -2.18 0.02 0.00 -1.01 0.00 0.00 57.07 53.99 2oq3 s TYR 57 Cb 0.08 -1.93 -0.01 0.00 -0.11 0.00 0.00 41.96 39.99 2oq3 s TYR 57 CO 0.64 -0.85 -0.07 0.42 -1.11 0.00 0.00 175.55 174.58 2oq3 s ILE 58 N 0.99 0.52 0.00 2.71 -1.09 -1.26 -1.15 121.20 121.93 2oq3 s ILE 58 Ca 0.13 -0.47 0.00 0.00 -2.23 0.00 0.00 60.65 58.08 2oq3 s ILE 58 Cb -0.21 -0.48 0.00 0.00 -1.58 0.00 0.00 42.46 40.19 2oq3 s ILE 58 CO -0.12 0.02 0.00 0.18 -1.23 0.00 0.00 174.94 173.79 2oq3 n LEU 59 N 2.56 0.00 -3.71 2.97 4.32 -0.82 -4.94 117.00 117.39 2oq3 n LEU 59 Ca -0.15 0.00 -0.10 0.00 -0.02 0.00 0.00 56.01 55.74 2oq3 n LEU 59 Cb 0.57 0.00 -0.03 0.00 -1.62 0.00 0.00 43.42 42.34 2oq3 n LEU 59 CO 0.24 0.00 0.33 0.00 -1.22 0.00 0.00 177.39 176.74 2oq3 s ALA 60 N -1.31 -1.09 -0.11 -1.18 0.00 -1.23 -5.00 121.76 111.85 2oq3 s ALA 60 Ca 0.00 -0.12 -0.38 0.00 0.00 0.00 0.00 51.96 51.46 2oq3 s ALA 60 Cb 0.00 0.86 -0.15 0.00 0.00 0.00 0.00 23.12 23.83 2oq3 s ALA 60 CO 0.00 -0.84 1.66 -2.30 0.00 0.00 0.00 175.76 174.28 2oq3 n PRO 61 N -0.37 1.45 -0.87 0.00 -0.02 -1.26 -1.32 135.00 132.60 2oq3 n PRO 61 Ca -0.10 0.53 0.00 0.00 -2.02 0.00 0.00 63.50 61.91 2oq3 n PRO 61 Cb 0.62 -2.24 0.00 0.00 -0.02 0.00 0.00 33.50 31.86 2oq3 n PRO 61 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2oq3 n GLY 62 N 3.76 0.80 2.96 -1.23 0.00 -1.26 -4.97 105.19 105.25 2oq3 n GLY 62 Ca 0.23 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.98 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 -3.11 1.17 0.26 1.61 1.01 -0.44 -0.91 120.40 119.99 2oq3 s VAL 63 Ca 0.00 -0.41 0.07 0.00 0.00 0.00 0.00 61.98 61.64 2oq3 s VAL 63 Cb 0.00 -1.13 -0.05 0.00 0.00 0.00 0.00 36.38 35.19 2oq3 s VAL 63 CO 0.00 0.38 -0.09 0.00 0.00 0.00 0.00 175.10 175.39 2oq3 s ALA 64 N 1.38 2.25 -0.45 5.51 0.00 -0.33 -1.94 121.76 128.18 2oq3 s ALA 64 Ca -0.00 -1.82 0.09 0.00 0.00 0.00 0.00 51.96 50.23 2oq3 s ALA 64 Cb -0.14 0.09 0.34 0.00 0.00 0.00 0.00 23.12 23.41 2oq3 s ALA 64 CO -0.05 -0.01 0.80 -0.12 0.00 0.00 0.00 175.76 176.37 2oq3 n MET 65 N -0.52 1.77 -1.57 0.00 0.00 -0.30 -2.21 117.12 114.30 2oq3 n MET 65 Ca -0.06 -3.91 -0.42 0.00 0.00 0.00 0.00 57.70 53.31 2oq3 n MET 65 Cb 0.62 -1.89 0.01 0.00 0.00 0.00 0.00 33.22 31.96 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 0.14 1.13 -3.65 2.12 -0.02 -0.86 -4.72 135.00 129.15 2oq3 n PRO 66 Ca 0.27 0.41 -0.02 0.00 -2.02 0.00 0.00 63.50 62.14 2oq3 n PRO 66 Cb 0.56 -1.87 -0.03 0.00 -0.02 0.00 0.00 33.50 32.14 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 -1.28 -0.01 0.10 6.00 5.04 -1.26 -1.45 115.29 122.42 2oq3 s HIS 67 Ca 0.63 0.01 0.00 0.00 -1.54 0.00 0.00 55.06 54.16 2oq3 s HIS 67 Cb -0.60 0.50 -0.04 0.00 0.04 0.00 0.00 32.58 32.48 2oq3 s HIS 67 CO 0.57 -0.01 -0.02 0.00 -2.34 0.00 0.00 174.74 172.94 2oq3 s ALA 68 N -1.50 0.83 0.28 1.58 0.00 -1.26 -4.82 121.76 116.87 2oq3 s ALA 68 Ca 0.11 -1.36 -0.28 0.00 0.00 0.00 0.00 51.96 50.43 2oq3 s ALA 68 Cb -0.01 0.39 -0.14 0.00 0.00 0.00 0.00 23.12 23.36 2oq3 s ALA 68 CO -0.06 -0.35 1.02 2.89 0.00 0.00 0.00 175.76 179.27 2oq3 n ARG 69 N -0.02 1.35 -0.30 0.00 1.85 -1.26 -4.84 116.66 113.44 2oq3 n ARG 69 Ca -0.11 0.47 0.14 0.00 -1.00 0.00 0.00 57.85 57.35 2oq3 n ARG 69 Cb 0.62 -1.85 0.31 0.00 -1.05 0.00 0.00 32.46 30.48 2oq3 n ARG 69 CO 0.00 0.00 0.00 -1.35 -0.01 0.00 0.00 177.63 176.27 2oq3 h PRO 70 N 2.11 0.31 0.00 2.89 0.11 -1.92 -0.43 132.00 135.07 2oq3 h PRO 70 Ca -0.40 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.69 2oq3 h PRO 70 Cb 1.34 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.38 2oq3 h PRO 70 CO 0.61 0.20 0.00 -0.85 -0.21 0.00 0.00 178.00 177.76 2oq3 n GLU 71 N -5.12 0.01 0.00 1.05 0.28 -1.26 -0.63 120.64 114.97 2oq3 n GLU 71 Ca 0.22 0.41 0.13 0.00 -0.16 0.00 0.00 57.16 57.76 2oq3 n GLU 71 Cb 0.68 -1.50 0.68 0.00 1.43 0.00 0.00 31.44 32.73 2oq3 n GLU 71 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2oq3 n GLY 73 N 0.77 0.19 3.76 0.00 0.00 -0.56 -2.33 105.19 107.02 2oq3 n GLY 73 Ca 0.14 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.73 2.99 0.00 4.61 0.00 0.20 -0.83 121.76 127.99 2oq3 s ALA 74 Ca 0.00 1.26 0.00 0.00 0.00 0.00 0.00 51.96 53.22 2oq3 s ALA 74 Cb 0.00 -3.52 0.00 0.00 0.00 0.00 0.00 23.12 19.60 2oq3 s ALA 74 CO 0.00 -1.10 0.00 1.28 0.00 0.00 0.00 175.76 175.94 2oq3 n LEU 75 N -0.58 0.81 -4.19 0.00 4.77 0.08 -4.84 117.00 113.05 2oq3 n LEU 75 Ca 0.08 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.94 2oq3 n LEU 75 Cb 0.45 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.44 2oq3 n LEU 75 CO 0.53 0.14 -0.26 -0.54 -1.33 0.00 0.00 177.39 175.93 2oq3 s LYS 76 N -1.69 1.14 -0.30 3.23 1.02 -0.74 -4.80 119.74 117.60 2oq3 s LYS 76 Ca 0.00 -1.58 -0.13 0.00 0.02 0.00 0.00 55.97 54.28 2oq3 s LYS 76 Cb 0.00 0.22 -0.04 0.00 -0.52 0.00 0.00 37.83 37.49 2oq3 s LYS 76 CO 0.00 -0.34 0.26 0.99 -0.92 0.00 0.00 175.35 175.34 2oq3 s THR 77 N -4.09 5.26 0.24 2.17 2.01 -1.26 -3.59 115.64 116.38 2oq3 s THR 77 Ca 0.34 0.16 -0.21 0.00 0.31 0.00 0.00 61.69 62.30 2oq3 s THR 77 Cb 0.07 -3.63 0.07 0.00 0.01 0.00 0.00 72.50 69.01 2oq3 s THR 77 CO 0.09 0.14 0.96 -0.83 -0.69 0.00 0.00 174.62 174.29 2oq3 s GLY 78 N 1.73 0.15 0.16 4.40 0.00 0.10 -4.94 107.32 108.92 2oq3 s GLY 78 Ca 0.09 -0.41 -0.03 0.00 0.00 0.00 0.00 44.72 44.37 2oq3 s GLY 78 CO 0.11 1.38 0.15 1.06 0.00 0.00 0.00 173.10 175.80 2oq3 s MET 79 N -2.35 1.09 0.07 2.90 -1.94 -0.52 -0.18 119.30 118.37 2oq3 s MET 79 Ca 0.19 -1.43 -0.07 0.00 -1.71 0.00 0.00 55.69 52.66 2oq3 s MET 79 Cb -0.03 0.29 -0.01 0.00 2.01 0.00 0.00 34.83 37.09 2oq3 s MET 79 CO 0.07 -0.35 0.15 -1.54 -0.01 0.00 0.00 175.02 173.33 2oq3 s SER 80 N -3.06 0.16 -0.03 3.03 1.04 -0.62 -4.12 113.70 110.10 2oq3 s SER 80 Ca 0.27 -0.64 0.01 0.00 0.48 0.00 0.00 55.95 56.07 2oq3 s SER 80 Cb 0.06 0.30 0.01 0.00 0.10 0.00 0.00 66.02 66.49 2oq3 s SER 80 CO 0.05 -0.66 -0.05 -0.76 0.98 0.00 0.00 173.24 172.80 2oq3 s LEU 81 N -2.66 1.56 -0.01 2.42 1.02 -0.02 -0.30 118.68 120.69 2oq3 s LEU 81 Ca 0.02 -0.13 0.00 0.00 0.02 0.00 0.00 54.13 54.05 2oq3 s LEU 81 Cb 0.04 -0.42 0.01 0.00 0.02 0.00 0.00 46.19 45.84 2oq3 s LEU 81 CO -0.09 -0.01 0.00 -0.89 0.02 0.00 0.00 176.35 175.39 2oq3 s THR 82 N 0.54 0.07 0.01 5.49 2.01 -0.02 -2.39 115.64 121.36 2oq3 s THR 82 Ca -0.07 0.06 0.07 0.00 0.31 0.00 0.00 61.69 62.06 2oq3 s THR 82 Cb -0.11 -0.13 -0.02 0.00 0.01 0.00 0.00 72.50 72.26 2oq3 s THR 82 CO 0.00 0.07 -0.22 -0.22 -0.69 0.00 0.00 174.62 173.57 2oq3 s LEU 83 N 0.52 2.10 -0.20 4.42 2.96 -0.92 -1.20 118.68 126.35 2oq3 s LEU 83 Ca -0.05 -0.46 0.01 0.00 -0.22 0.00 0.00 54.13 53.42 2oq3 s LEU 83 Cb -0.07 -1.08 0.04 0.00 0.50 0.00 0.00 46.19 45.58 2oq3 s LEU 83 CO -0.01 0.23 -0.15 -0.76 -1.32 0.00 0.00 176.35 174.34 2oq3 s LEU 84 N -0.82 2.50 0.55 -0.68 1.02 0.55 -0.54 118.68 121.26 2oq3 s LEU 84 Ca 0.08 -0.90 0.28 0.00 0.02 0.00 0.00 54.13 53.61 2oq3 s LEU 84 Cb -0.09 -1.42 1.59 0.00 0.02 0.00 0.00 46.19 46.29 2oq3 s LEU 84 CO 0.00 -0.09 2.14 -0.33 0.02 0.00 0.00 176.35 178.10 2oq3 h GLU 85 N 7.91 0.00 -0.00 1.70 5.08 -0.82 -1.92 114.58 126.53 2oq3 h GLU 85 Ca -0.34 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.02 2oq3 h GLU 85 Cb 1.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.35 2oq3 h GLU 85 CO 0.54 0.08 -0.38 1.04 -1.00 0.00 0.00 179.01 179.29 2oq3 n GLN 86 N -3.73 3.06 -0.91 2.33 6.02 -1.06 -5.04 117.38 118.05 2oq3 n GLN 86 Ca -0.02 -0.24 0.12 0.00 -0.01 0.00 0.00 57.00 56.85 2oq3 n GLN 86 Cb 0.18 -1.02 -0.03 0.00 1.02 0.00 0.00 30.24 30.38 2oq3 n GLN 86 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2oq3 n GLY 87 N 1.12 -1.50 3.28 1.08 0.00 -0.72 -4.93 105.19 103.51 2oq3 n GLY 87 Ca 0.03 -1.06 -0.11 0.00 0.00 0.00 0.00 46.02 44.88 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 -1.40 0.08 -0.42 1.61 0.11 -0.76 -4.46 120.40 115.16 2oq3 s VAL 88 Ca 0.00 -0.69 -0.16 0.00 -2.93 0.00 0.00 61.98 58.20 2oq3 s VAL 88 Cb 0.00 -1.11 0.02 0.00 -1.53 0.00 0.00 36.38 33.76 2oq3 s VAL 88 CO 0.00 -0.38 0.38 -0.47 -3.33 0.00 0.00 175.10 171.30 2oq3 s TYR 89 N -3.30 3.20 -0.36 1.54 5.04 -1.26 -0.33 117.35 121.88 2oq3 s TYR 89 Ca 0.00 -0.49 -0.27 0.00 -2.44 0.00 0.00 57.07 53.87 2oq3 s TYR 89 Cb 0.01 -2.78 0.02 0.00 0.35 0.00 0.00 41.96 39.56 2oq3 s TYR 89 CO -0.08 -0.66 0.97 -0.06 -1.34 0.00 0.00 175.55 174.38 2oq3 s PHE 90 N 1.92 3.09 -0.29 4.97 0.40 -1.26 -4.53 117.98 122.27 2oq3 s PHE 90 Ca 0.09 0.88 -0.28 0.00 -0.60 0.00 0.00 56.93 57.02 2oq3 s PHE 90 Cb -0.18 -3.69 -0.05 0.00 0.51 0.00 0.00 43.02 39.61 2oq3 s PHE 90 CO 0.12 -0.83 2.19 -1.25 0.70 0.00 0.00 175.22 176.15 2oq3 s PRO 91 N 3.56 2.96 0.00 0.24 0.04 -1.26 -2.68 135.00 137.87 2oq3 s PRO 91 Ca 0.40 1.82 0.00 0.00 0.04 0.00 0.00 61.00 63.26 2oq3 s PRO 91 Cb -0.12 -4.39 0.00 0.00 0.04 0.00 0.00 34.50 30.03 2oq3 s PRO 91 CO 0.18 -2.29 0.00 0.41 0.04 0.00 0.00 177.00 175.34 2oq3 n GLY 92 N 5.77 1.85 3.75 0.56 0.00 -1.26 -4.08 105.19 111.77 2oq3 n GLY 92 Ca 0.30 -0.09 -0.30 0.00 0.00 0.00 0.00 46.02 45.92 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 0.00 4.12 0.36 1.61 3.84 -1.09 -4.96 114.94 118.82 2oq3 s ASN 93 Ca 0.00 1.68 0.07 0.00 0.21 0.00 0.00 52.86 54.83 2oq3 s ASN 93 Cb 0.00 -2.38 0.68 0.00 -0.55 0.00 0.00 41.25 39.00 2oq3 s ASN 93 CO 0.00 -2.26 1.88 -0.78 -2.79 0.00 0.00 177.10 173.15 2oq3 h ASP 94 N -1.29 0.32 -5.38 -4.21 3.58 -1.93 -3.47 116.42 104.04 2oq3 h ASP 94 Ca -0.46 -0.07 -0.13 0.00 0.42 0.00 0.00 57.03 56.79 2oq3 h ASP 94 Cb 1.25 -0.08 -0.11 0.00 1.72 0.00 0.00 39.33 42.10 2oq3 h ASP 94 CO 0.53 0.47 -0.31 -1.83 -2.88 0.00 0.00 179.24 175.22 2oq3 s GLU 95 N -4.74 1.43 0.14 0.28 -1.05 -1.26 -5.04 118.70 108.46 2oq3 s GLU 95 Ca -0.06 -1.41 -0.35 0.00 -0.15 0.00 0.00 54.97 53.01 2oq3 s GLU 95 Cb 0.15 0.39 -0.15 0.00 -0.44 0.00 0.00 34.13 34.09 2oq3 s GLU 95 CO 0.75 -0.55 1.45 -2.30 0.95 0.00 0.00 175.26 175.56 2oq3 n PRO 96 N -0.34 1.72 -2.11 -4.83 -0.02 -1.26 -4.27 135.00 123.89 2oq3 n PRO 96 Ca -0.00 0.62 -0.42 0.00 -2.02 0.00 0.00 63.50 61.67 2oq3 n PRO 96 Cb 0.63 -2.32 -0.03 0.00 -0.02 0.00 0.00 33.50 31.77 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 0.59 3.75 -0.33 4.25 -1.09 0.55 -4.26 121.20 124.66 2oq3 s ILE 97 Ca 0.79 0.90 0.22 0.00 -2.23 0.00 0.00 60.65 60.33 2oq3 s ILE 97 Cb -0.78 -3.61 -0.22 0.00 -1.58 0.00 0.00 42.46 36.27 2oq3 s ILE 97 CO 0.43 -0.11 0.75 0.29 -1.23 0.00 0.00 174.94 175.07 2oq3 n LYS 98 N 7.10 0.47 -3.74 2.79 5.02 -0.08 -1.83 118.16 127.89 2oq3 n LYS 98 Ca 0.17 -0.08 -0.15 0.00 -2.02 0.00 0.00 58.31 56.23 2oq3 n LYS 98 Cb 0.44 -1.58 -0.15 0.00 -0.02 0.00 0.00 35.03 33.71 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 -4.30 0.73 -0.14 -0.35 2.96 -1.01 -0.33 118.68 116.24 2oq3 s LEU 99 Ca -0.02 0.20 -0.03 0.00 -0.22 0.00 0.00 54.13 54.06 2oq3 s LEU 99 Cb 0.14 0.18 0.05 0.00 0.50 0.00 0.00 46.19 47.05 2oq3 s LEU 99 CO 0.86 -0.16 0.06 -0.76 -1.32 0.00 0.00 176.35 175.03 2oq3 s LEU 100 N 1.31 0.56 -0.39 -0.68 1.02 -0.34 -1.18 118.68 118.98 2oq3 s LEU 100 Ca -0.07 -0.45 -0.14 0.00 0.02 0.00 0.00 54.13 53.49 2oq3 s LEU 100 Cb -0.12 -0.35 0.01 0.00 0.02 0.00 0.00 46.19 45.75 2oq3 s LEU 100 CO -0.05 -0.29 0.28 -0.63 0.02 0.00 0.00 176.35 175.68 2oq3 s ILE 101 N 2.04 5.24 0.40 -0.59 1.09 -0.94 -0.84 121.20 127.61 2oq3 s ILE 101 Ca 0.02 -0.54 -0.23 0.00 -1.10 0.00 0.00 60.65 58.81 2oq3 s ILE 101 Cb -0.15 -3.85 -0.10 0.00 -1.06 0.00 0.00 42.46 37.30 2oq3 s ILE 101 CO -0.07 -0.22 0.97 -0.83 -0.10 0.00 0.00 174.94 174.69 2oq3 s GLY 102 N 1.69 2.57 0.00 6.18 0.00 0.58 -2.02 107.32 116.32 2oq3 s GLY 102 Ca 0.05 0.50 0.00 0.00 0.00 0.00 0.00 44.72 45.28 2oq3 s GLY 102 CO 0.10 0.86 -0.01 -2.27 0.00 0.00 0.00 173.10 171.78 2oq3 s LEU 103 N -2.81 2.03 0.01 0.66 0.20 -0.53 -1.59 118.68 116.65 2oq3 s LEU 103 Ca 0.59 -0.07 0.04 0.00 0.69 0.00 0.00 54.13 55.38 2oq3 s LEU 103 Cb -0.15 -0.03 -0.01 0.00 -0.43 0.00 0.00 46.19 45.57 2oq3 s LEU 103 CO 0.19 -0.02 -0.12 -0.94 -0.29 0.00 0.00 176.35 175.17 2oq3 s SER 104 N -0.17 1.38 -0.09 3.68 1.04 0.74 -4.30 113.70 115.98 2oq3 s SER 104 Ca -0.01 -0.30 -0.06 0.00 0.48 0.00 0.00 55.95 56.06 2oq3 s SER 104 Cb -0.01 -0.12 0.04 0.00 0.10 0.00 0.00 66.02 66.02 2oq3 s SER 104 CO -0.00 0.08 0.22 0.00 0.98 0.00 0.00 173.24 174.52 2oq3 s ALA 105 N -0.50 -0.50 -0.11 5.32 0.00 -1.24 -0.72 121.76 124.01 2oq3 s ALA 105 Ca 0.03 0.81 0.24 0.00 0.00 0.00 0.00 51.96 53.03 2oq3 s ALA 105 Cb -0.06 -0.51 0.65 0.00 0.00 0.00 0.00 23.12 23.21 2oq3 s ALA 105 CO 0.00 -0.16 1.71 0.00 0.00 0.00 0.00 175.76 177.32 2oq3 h ALA 106 N 6.71 0.94 -2.59 0.00 0.00 -1.87 -3.38 119.26 119.06 2oq3 h ALA 106 Ca -0.36 -0.15 -0.12 0.00 0.00 0.00 0.00 54.91 54.28 2oq3 h ALA 106 Cb 1.17 -0.03 -0.18 0.00 0.00 0.00 0.00 17.79 18.75 2oq3 h ALA 106 CO 0.38 0.21 -0.43 0.34 0.00 0.00 0.00 179.25 179.75 2oq3 s ASP 107 N -6.15 0.07 0.48 0.00 2.15 -1.26 -4.91 116.67 107.04 2oq3 s ASP 107 Ca 0.03 -0.40 0.14 0.00 0.43 0.00 0.00 52.55 52.76 2oq3 s ASP 107 Cb 0.08 0.27 1.13 0.00 -0.30 0.00 0.00 42.92 44.09 2oq3 s ASP 107 CO 0.65 -0.53 2.09 0.00 -0.17 0.00 0.00 175.17 177.20 2oq3 h ALA 108 N 3.56 1.96 0.03 3.66 0.00 -1.99 -0.74 119.26 125.74 2oq3 h ALA 108 Ca -0.32 -0.01 -0.22 0.00 0.00 0.00 0.00 54.91 54.36 2oq3 h ALA 108 Cb 1.19 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 2oq3 h ALA 108 CO 0.48 0.00 -0.98 0.22 0.00 0.00 0.00 179.25 178.97 2oq3 h ASP 109 N 0.22 0.26 -0.68 0.00 3.58 -1.98 -0.61 116.42 117.20 2oq3 h ASP 109 Ca 0.10 -0.23 -0.00 0.00 0.42 0.00 0.00 57.03 57.32 2oq3 h ASP 109 Cb 0.15 -0.08 -0.03 0.00 1.72 0.00 0.00 39.33 41.08 2oq3 h ASP 109 CO -0.02 1.09 0.40 0.28 -2.88 0.00 0.00 179.24 178.11 2oq3 h SER 110 N 0.08 0.82 -0.26 2.28 0.02 -1.77 -1.69 113.55 113.03 2oq3 h SER 110 Ca -0.06 -0.07 0.04 0.00 -0.84 0.00 0.00 61.79 60.86 2oq3 h SER 110 Cb 1.66 -0.21 -0.04 0.00 0.14 0.00 0.00 62.40 63.95 2oq3 h SER 110 CO 0.15 0.64 0.04 -0.74 -1.14 0.00 0.00 176.83 175.78 2oq3 h HIS 111 N 0.92 0.06 -0.50 3.45 -0.00 -1.02 -1.18 115.15 116.89 2oq3 h HIS 111 Ca 0.24 0.02 0.03 0.00 -0.00 0.00 0.00 60.37 60.66 2oq3 h HIS 111 Cb -0.02 0.01 -0.04 0.00 -0.00 0.00 0.00 27.41 27.36 2oq3 h HIS 111 CO -0.01 0.01 0.28 0.82 -0.00 0.00 0.00 177.93 179.02 2oq3 h ILE 112 N 0.13 1.02 -0.05 6.26 1.08 -0.57 0.21 117.51 125.59 2oq3 h ILE 112 Ca 0.12 -0.19 -0.18 0.00 -0.39 0.00 0.00 64.86 64.22 2oq3 h ILE 112 Cb 0.13 0.41 -0.01 0.00 -3.07 0.00 0.00 36.82 34.29 2oq3 h ILE 112 CO -0.17 0.10 -0.75 1.23 -0.69 0.00 0.00 178.15 177.87 2oq3 h GLY 113 N 0.55 0.32 0.86 5.37 0.00 -1.19 -2.42 103.07 106.56 2oq3 h GLY 113 Ca 0.21 -0.47 -0.02 0.00 0.00 0.00 0.00 47.33 47.05 2oq3 h GLY 113 CO -0.11 0.41 0.05 0.00 0.00 0.00 0.00 176.54 176.89 2oq3 h ALA 114 N 1.02 0.29 -0.64 3.60 0.00 -0.73 -2.42 119.26 120.37 2oq3 h ALA 114 Ca -0.03 -0.16 0.09 0.00 0.00 0.00 0.00 54.91 54.81 2oq3 h ALA 114 Cb 1.32 -0.08 -0.07 0.00 0.00 0.00 0.00 17.79 18.96 2oq3 h ALA 114 CO 0.12 -0.06 0.28 0.82 0.00 0.00 0.00 179.25 180.41 2oq3 h ILE 115 N 0.17 0.81 0.00 0.00 1.08 -0.60 -0.46 117.51 118.51 2oq3 h ILE 115 Ca 0.07 -0.17 0.00 0.00 -0.39 0.00 0.00 64.86 64.37 2oq3 h ILE 115 Cb 0.28 0.28 0.00 0.00 -3.07 0.00 0.00 36.82 34.31 2oq3 h ILE 115 CO 0.00 0.09 0.00 0.00 -0.69 0.00 0.00 178.15 177.55 2oq3 n GLN 116 N -4.94 0.00 0.00 2.37 6.02 -0.91 -0.54 117.38 119.38 2oq3 n GLN 116 Ca 0.09 0.27 -0.19 0.00 -0.01 0.00 0.00 57.00 57.16 2oq3 n GLN 116 Cb 0.26 -1.50 -0.14 0.00 1.02 0.00 0.00 30.24 29.89 2oq3 n GLN 116 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2oq3 n ALA 117 N -1.50 0.98 0.10 -1.58 0.00 -0.26 -4.17 120.51 114.08 2oq3 n ALA 117 Ca 0.03 -0.62 -0.04 0.00 0.00 0.00 0.00 53.44 52.81 2oq3 n ALA 117 Cb 0.16 -0.70 0.12 0.00 0.00 0.00 0.00 19.45 19.02 2oq3 n ALA 117 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2oq3 h LEU 118 N 0.06 0.18 -2.75 0.00 3.38 -0.52 -2.24 115.31 113.42 2oq3 h LEU 118 Ca -0.40 -0.11 -0.00 0.00 0.09 0.00 0.00 57.88 57.46 2oq3 h LEU 118 Cb 2.03 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 42.73 2oq3 h LEU 118 CO 0.09 0.78 -0.00 0.28 0.09 0.00 0.00 178.44 179.67 2oq3 h SER 119 N 0.11 0.00 0.51 -0.43 0.02 -1.01 -0.07 113.55 112.69 2oq3 h SER 119 Ca -0.01 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.90 2oq3 h SER 119 Cb 1.17 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.70 2oq3 h SER 119 CO 0.10 0.00 -0.18 -0.33 -1.14 0.00 0.00 176.83 175.28 2oq3 h GLU 120 N 0.00 0.00 0.00 3.45 4.39 -1.56 -3.03 114.58 117.83 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 0.06 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.71 2oq3 h GLU 120 CO 0.00 0.18 -0.73 1.28 -1.16 0.00 0.00 179.01 178.58 2oq3 n LEU 121 N -3.63 1.56 0.00 1.33 4.77 -0.29 -4.57 117.00 116.18 2oq3 n LEU 121 Ca -0.01 0.26 0.11 0.00 -0.03 0.00 0.00 56.01 56.34 2oq3 n LEU 121 Cb 0.31 -0.64 0.64 0.00 -2.33 0.00 0.00 43.42 41.39 2oq3 n LEU 121 CO 0.32 -0.37 0.85 0.18 -1.33 0.00 0.00 177.39 177.04 2oq3 n LEU 122 N -4.06 0.00 -0.85 2.23 4.77 -0.19 -2.33 117.00 116.56 2oq3 n LEU 122 Ca -0.10 0.06 0.02 0.00 -0.03 0.00 0.00 56.01 55.96 2oq3 n LEU 122 Cb 0.38 -0.06 0.20 0.00 -2.33 0.00 0.00 43.42 41.61 2oq3 n LEU 122 CO 0.15 -0.02 0.62 0.00 -1.33 0.00 0.00 177.39 176.81 2oq3 s GLU 124 N -3.11 0.40 0.61 0.00 2.56 -0.99 -5.00 118.70 113.17 2oq3 s GLU 124 Ca 0.41 -0.88 0.32 0.00 0.00 0.00 0.00 54.97 54.82 2oq3 s GLU 124 Cb 0.37 -1.35 1.87 0.00 2.00 0.00 0.00 34.13 37.03 2oq3 s GLU 124 CO 0.01 -1.08 2.20 1.05 -0.56 0.00 0.00 175.26 176.88 2oq3 h GLU 125 N 7.90 0.00 -0.03 4.30 4.11 -1.91 -0.08 114.58 128.87 2oq3 h GLU 125 Ca -0.11 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.32 2oq3 h GLU 125 Cb 1.00 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.24 2oq3 h GLU 125 CO 0.39 0.00 0.02 0.93 0.07 0.00 0.00 179.01 180.42 2oq3 h GLU 126 N 0.00 0.05 -0.49 1.06 4.39 -1.95 -2.99 114.58 114.65 2oq3 h GLU 126 Ca 0.03 -0.01 -0.12 0.00 0.34 0.00 0.00 59.36 59.60 2oq3 h GLU 126 Cb 0.24 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.87 2oq3 h GLU 126 CO -0.00 0.17 -0.17 0.82 -1.16 0.00 0.00 179.01 178.67 2oq3 h ILE 127 N -0.08 1.27 -0.75 3.13 5.03 -1.37 -3.27 117.51 121.46 2oq3 h ILE 127 Ca 0.01 -1.33 0.09 0.00 -0.12 0.00 0.00 64.86 63.52 2oq3 h ILE 127 Cb 0.14 1.08 -0.07 0.00 -3.03 0.00 0.00 36.82 34.94 2oq3 h ILE 127 CO -0.00 0.46 0.39 -0.07 -0.68 0.00 0.00 178.15 178.25 2oq3 h LEU 128 N 0.85 0.53 -0.69 1.44 3.38 -0.96 0.16 115.31 120.02 2oq3 h LEU 128 Ca 0.12 0.06 -0.11 0.00 0.09 0.00 0.00 57.88 58.04 2oq3 h LEU 128 Cb 0.74 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.44 2oq3 h LEU 128 CO 0.06 0.30 -0.15 -0.33 0.09 0.00 0.00 178.44 178.41 2oq3 h GLU 129 N 0.66 0.86 -0.10 1.13 5.08 -1.61 0.16 114.58 120.76 2oq3 h GLU 129 Ca 0.37 -0.32 -0.12 0.00 -1.00 0.00 0.00 59.36 58.29 2oq3 h GLU 129 Cb 0.37 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 2oq3 h GLU 129 CO -0.26 0.95 -0.49 1.96 -1.00 0.00 0.00 179.01 180.17 2oq3 h GLN 130 N 0.76 0.25 0.09 2.33 4.20 -1.10 -1.43 115.11 120.21 2oq3 h GLN 130 Ca 0.12 -0.14 -0.00 0.00 0.06 0.00 0.00 58.65 58.69 2oq3 h GLN 130 Cb 0.67 0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.46 2oq3 h GLN 130 CO 0.05 0.68 -0.04 -0.07 -0.67 0.00 0.00 178.83 178.78 2oq3 h LEU 131 N 0.20 -0.10 -0.45 1.46 3.38 -0.99 -3.28 115.31 115.52 2oq3 h LEU 131 Ca 0.01 -0.48 0.00 0.00 0.09 0.00 0.00 57.88 57.50 2oq3 h LEU 131 Cb 0.93 0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.71 2oq3 h LEU 131 CO 0.08 0.48 0.04 0.18 0.09 0.00 0.00 178.44 179.31 2oq3 n LEU 132 N -4.86 0.18 -0.36 1.67 4.77 0.54 -0.69 117.00 118.25 2oq3 n LEU 132 Ca -0.08 0.55 0.06 0.00 -0.03 0.00 0.00 56.01 56.51 2oq3 n LEU 132 Cb 0.29 -0.57 0.14 0.00 -2.33 0.00 0.00 43.42 40.94 2oq3 n LEU 132 CO 0.29 -0.61 0.60 0.35 -1.33 0.00 0.00 177.39 176.68 2oq3 n THR 133 N -1.72 1.60 -1.55 -5.08 -2.24 -0.57 -5.00 114.28 99.73 2oq3 n THR 133 Ca -0.00 -1.63 -0.26 0.00 -2.27 0.00 0.00 64.05 59.89 2oq3 n THR 133 Cb 0.05 0.08 -0.07 0.00 -2.10 0.00 0.00 70.33 68.29 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 -0.62 0.59 0.63 6.98 0.00 0.14 -4.78 120.51 123.45 2oq3 n ALA 134 Ca 0.12 -1.08 0.13 0.00 0.00 0.00 0.00 53.44 52.62 2oq3 n ALA 134 Cb 0.57 -3.13 0.35 0.00 0.00 0.00 0.00 19.45 17.23 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 16.14 0.76 -3.84 0.00 7.64 -1.26 -4.81 113.62 128.23 2oq3 n SER 135 Ca 0.45 0.44 -0.10 0.00 1.01 0.00 0.00 58.87 60.66 2oq3 n SER 135 Cb 0.44 -0.52 -0.08 0.00 -1.01 0.00 0.00 64.21 63.04 2oq3 n SER 135 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2oq3 s SER 136 N -4.38 0.03 0.40 6.43 0.01 -1.26 -5.06 113.70 109.88 2oq3 s SER 136 Ca 0.10 -0.37 0.13 0.00 1.31 0.00 0.00 55.95 57.11 2oq3 s SER 136 Cb 0.13 0.29 0.96 0.00 0.21 0.00 0.00 66.02 67.61 2oq3 s SER 136 CO 0.63 -0.56 1.92 -0.33 0.41 0.00 0.00 173.24 175.30 2oq3 h GLU 137 N 3.43 0.50 -0.88 12.44 3.07 -1.93 -1.08 114.58 130.13 2oq3 h GLU 137 Ca -0.32 -0.03 0.17 0.00 -0.50 0.00 0.00 59.36 58.68 2oq3 h GLU 137 Cb 1.19 -0.11 -0.07 0.00 -0.84 0.00 0.00 28.75 28.92 2oq3 h GLU 137 CO 0.48 0.33 0.57 -0.22 -1.40 0.00 0.00 179.01 178.78 2oq3 h LYS 138 N 0.52 0.55 -0.41 2.33 3.64 -1.98 -1.43 116.57 119.78 2oq3 h LYS 138 Ca 0.37 -0.03 -0.06 0.00 -1.27 0.00 0.00 60.65 59.65 2oq3 h LYS 138 Cb 0.71 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 32.39 2oq3 h LYS 138 CO -0.13 0.36 -0.01 0.37 -2.27 0.00 0.00 179.45 177.77 2oq3 h GLN 139 N 0.56 0.67 -0.30 1.90 4.15 -1.59 0.19 115.11 120.69 2oq3 h GLN 139 Ca 0.45 -0.17 -0.07 0.00 0.77 0.00 0.00 58.65 59.63 2oq3 h GLN 139 Cb 0.90 -0.08 -0.01 0.00 0.21 0.00 0.00 27.48 28.49 2oq3 h GLN 139 CO -0.20 0.69 -0.10 -0.07 -1.93 0.00 0.00 178.83 177.22 2oq3 h LEU 140 N 0.63 0.61 -0.64 -2.39 3.38 -1.38 -3.19 115.31 112.34 2oq3 h LEU 140 Ca 0.13 -0.38 -0.07 0.00 0.09 0.00 0.00 57.88 57.65 2oq3 h LEU 140 Cb 0.41 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 2oq3 h LEU 140 CO 0.02 0.86 -0.31 0.00 0.09 0.00 0.00 178.44 179.09 2oq3 h ALA 141 N 0.78 0.90 -0.55 1.53 0.00 -1.19 -2.49 119.26 118.23 2oq3 h ALA 141 Ca 0.07 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.70 2oq3 h ALA 141 Cb 0.61 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.32 2oq3 h ALA 141 CO 0.04 0.39 0.36 0.22 0.00 0.00 0.00 179.25 180.25 2oq3 h ASP 142 N 0.00 0.64 -0.05 0.00 3.58 -0.65 -1.27 116.42 118.67 2oq3 h ASP 142 Ca -0.00 -0.03 -0.12 0.00 0.42 0.00 0.00 57.03 57.30 2oq3 h ASP 142 Cb 0.99 -0.16 -0.01 0.00 1.72 0.00 0.00 39.33 41.87 2oq3 h ASP 142 CO 0.04 0.48 -0.36 0.40 -2.88 0.00 0.00 179.24 176.92 2oq3 h ILE 143 N 0.75 1.29 -0.22 2.25 2.04 -1.48 -2.12 117.51 120.02 2oq3 h ILE 143 Ca 0.20 -1.49 0.04 0.00 1.00 0.00 0.00 64.86 64.62 2oq3 h ILE 143 Cb -0.07 1.49 -0.04 0.00 -0.74 0.00 0.00 36.82 37.46 2oq3 h ILE 143 CO -0.04 0.47 -0.04 0.40 0.00 0.00 0.00 178.15 178.94 2oq3 h ILE 144 N 0.46 0.80 0.00 -0.67 1.08 -1.23 -3.18 117.51 114.77 2oq3 h ILE 144 Ca 0.05 -0.01 -0.04 0.00 -0.39 0.00 0.00 64.86 64.47 2oq3 h ILE 144 Cb 0.84 0.77 -0.01 0.00 -3.07 0.00 0.00 36.82 35.35 2oq3 h ILE 144 CO 0.07 0.00 -0.17 0.28 -0.69 0.00 0.00 178.15 177.64 2oq3 h SER 145 N 0.02 0.00 0.68 1.72 0.02 -0.54 -0.39 113.55 115.06 2oq3 h SER 145 Ca 0.11 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 61.00 2oq3 h SER 145 Cb 0.15 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.69 2oq3 h SER 145 CO -0.21 0.17 -0.28 0.03 -1.14 0.00 0.00 176.83 175.40 2oq3 h ARG 146 N 0.00 0.00 0.00 3.45 3.08 -1.49 -3.49 114.38 115.92 2oq3 h ARG 146 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2oq3 h ARG 146 Cb 0.37 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.42 2oq3 h ARG 146 CO 0.02 0.28 0.00 0.41 -1.07 0.00 0.00 179.97 179.61