#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 3.63 0.23 2.12 1.81 -1.26 -4.86 118.95 120.62 2oq3 s ARG 2 Ca 0.00 2.00 -0.06 0.00 -1.72 0.00 0.00 55.73 55.95 2oq3 s ARG 2 Cb 0.00 -4.19 0.36 0.00 -0.45 0.00 0.00 34.95 30.68 2oq3 s ARG 2 CO 0.00 -1.51 1.78 -0.07 -0.68 0.00 0.00 175.30 174.82 2oq3 h LEU 3 N 12.66 0.48 -2.00 2.53 -0.00 -1.79 -1.97 115.31 125.22 2oq3 h LEU 3 Ca -0.40 0.06 0.00 0.00 -0.00 0.00 0.00 57.88 57.54 2oq3 h LEU 3 Cb 1.20 -0.02 0.00 0.00 -0.00 0.00 0.00 40.66 41.85 2oq3 h LEU 3 CO 0.98 0.27 0.19 0.28 -0.00 0.00 0.00 178.44 180.15 2oq3 h SER 4 N 0.62 0.00 0.25 -0.43 0.02 -1.89 -0.49 113.55 111.62 2oq3 h SER 4 Ca 0.37 0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 61.24 2oq3 h SER 4 Cb 0.40 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.93 2oq3 h SER 4 CO -0.28 0.00 -0.32 -0.78 -1.14 0.00 0.00 176.83 174.31 2oq3 h ASP 5 N 0.00 0.12 0.58 3.07 3.58 -1.75 -3.27 116.42 118.75 2oq3 h ASP 5 Ca 0.00 -0.04 -0.28 0.00 0.42 0.00 0.00 57.03 57.13 2oq3 h ASP 5 Cb 0.39 -0.03 -0.04 0.00 1.72 0.00 0.00 39.33 41.36 2oq3 h ASP 5 CO 0.00 0.44 -1.57 1.88 -2.88 0.00 0.00 179.24 177.11 2oq3 h TYR 6 N 0.11 0.04 -3.58 0.28 0.05 -1.27 -3.44 116.97 109.15 2oq3 h TYR 6 Ca 0.01 -0.03 -0.65 0.00 0.05 0.00 0.00 58.73 58.12 2oq3 h TYR 6 Cb 0.62 -0.00 -0.15 0.00 1.01 0.00 0.00 36.73 38.21 2oq3 h TYR 6 CO 0.01 1.05 0.18 -0.06 -1.05 0.00 0.00 178.16 178.28 2oq3 s PHE 7 N -2.62 3.04 0.00 4.88 0.40 -1.24 -0.22 117.98 122.23 2oq3 s PHE 7 Ca -0.04 -0.03 0.00 0.00 -0.60 0.00 0.00 56.93 56.26 2oq3 s PHE 7 Cb 0.08 -3.43 0.00 0.00 0.51 0.00 0.00 43.02 40.18 2oq3 s PHE 7 CO 0.82 -0.91 0.09 -0.35 0.70 0.00 0.00 175.22 175.58 2oq3 n PRO 8 N 6.37 0.00 -3.64 0.24 -0.04 -1.26 -4.91 135.00 131.77 2oq3 n PRO 8 Ca -0.01 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.35 2oq3 n PRO 8 Cb 0.48 -0.47 -0.03 0.00 -0.04 0.00 0.00 33.50 33.44 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 -0.18 1.36 0.00 0.54 2.12 -1.26 -4.91 118.70 116.36 2oq3 s GLU 9 Ca 0.00 -0.73 0.00 0.00 0.36 0.00 0.00 54.97 54.60 2oq3 s GLU 9 Cb 0.00 0.55 0.00 0.00 0.26 0.00 0.00 34.13 34.94 2oq3 s GLU 9 CO 0.00 -0.59 0.00 0.43 -0.54 0.00 0.00 175.26 174.56 2oq3 n SER 10 N -0.35 -2.67 -0.10 -1.70 7.64 -1.26 -4.82 113.62 110.36 2oq3 n SER 10 Ca -0.12 0.00 0.14 0.00 1.01 0.00 0.00 58.87 59.89 2oq3 n SER 10 Cb 0.63 -2.67 0.76 0.00 -1.01 0.00 0.00 64.21 61.92 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 -0.26 0.31 -3.89 6.43 3.41 -1.26 -4.70 113.62 113.66 2oq3 n SER 11 Ca 0.00 -1.21 -0.24 0.00 -0.26 0.00 0.00 58.87 57.15 2oq3 n SER 11 Cb 0.22 -0.01 -0.17 0.00 -0.26 0.00 0.00 64.21 64.00 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 -1.99 0.81 -0.01 -1.33 1.01 -1.26 -0.06 121.20 118.38 2oq3 s ILE 12 Ca 0.41 -0.20 -0.04 0.00 0.00 0.00 0.00 60.65 60.82 2oq3 s ILE 12 Cb 0.19 -0.84 -0.00 0.00 0.01 0.00 0.00 42.46 41.82 2oq3 s ILE 12 CO 0.32 0.32 0.07 -0.44 0.00 0.00 0.00 174.94 175.21 2oq3 s SER 13 N 1.46 0.04 -0.01 3.58 0.01 -0.56 -4.95 113.70 113.29 2oq3 s SER 13 Ca -0.01 -0.15 0.08 0.00 1.31 0.00 0.00 55.95 57.17 2oq3 s SER 13 Cb -0.13 0.17 -0.02 0.00 0.21 0.00 0.00 66.02 66.24 2oq3 s SER 13 CO -0.04 -0.23 -0.24 -0.69 0.41 0.00 0.00 173.24 172.45 2oq3 s VAL 14 N -0.90 2.28 0.01 3.43 1.01 -1.26 -1.45 120.40 123.52 2oq3 s VAL 14 Ca -0.10 -1.11 -0.01 0.00 0.00 0.00 0.00 61.98 60.76 2oq3 s VAL 14 Cb -0.06 -1.84 -0.01 0.00 0.00 0.00 0.00 36.38 34.47 2oq3 s VAL 14 CO 0.00 0.52 -0.00 -0.63 0.00 0.00 0.00 175.10 174.99 2oq3 s ILE 15 N -0.69 0.09 -0.02 2.22 1.01 0.30 -4.95 121.20 119.15 2oq3 s ILE 15 Ca 0.11 -0.72 -0.24 0.00 0.00 0.00 0.00 60.65 59.79 2oq3 s ILE 15 Cb -0.10 -0.24 -0.18 0.00 0.01 0.00 0.00 42.46 41.95 2oq3 s ILE 15 CO 0.00 -0.40 1.17 0.45 0.00 0.00 0.00 174.94 176.16 2oq3 h HIS 16 N 4.86 -0.18 -2.80 3.97 3.86 -1.95 0.24 115.15 123.16 2oq3 h HIS 16 Ca -0.30 -0.00 0.05 0.00 -1.16 0.00 0.00 60.37 58.95 2oq3 h HIS 16 Cb 1.21 0.06 -0.10 0.00 1.06 0.00 0.00 27.41 29.63 2oq3 h HIS 16 CO 0.61 0.24 0.30 0.45 0.86 0.00 0.00 177.93 180.38 2oq3 s SER 17 N -5.42 -0.41 0.52 2.45 0.15 -1.26 -1.17 113.70 108.55 2oq3 s SER 17 Ca -0.14 -0.19 -0.09 0.00 0.70 0.00 0.00 55.95 56.22 2oq3 s SER 17 Cb 0.02 0.58 -0.05 0.00 -1.71 0.00 0.00 66.02 64.86 2oq3 s SER 17 CO 0.58 -0.99 0.88 0.00 1.20 0.00 0.00 173.24 174.91 2oq3 s ALA 18 N -3.63 3.26 0.20 5.45 0.00 -1.26 -4.99 121.76 120.79 2oq3 s ALA 18 Ca 0.05 -0.24 -0.11 0.00 0.00 0.00 0.00 51.96 51.67 2oq3 s ALA 18 Cb -0.02 -2.83 0.16 0.00 0.00 0.00 0.00 23.12 20.43 2oq3 s ALA 18 CO -0.06 -0.39 1.85 -0.22 0.00 0.00 0.00 175.76 176.95 2oq3 h LYS 19 N 0.31 0.83 -2.71 0.00 3.64 -2.00 -3.47 116.57 113.17 2oq3 h LYS 19 Ca -0.46 -0.05 0.09 0.00 -1.27 0.00 0.00 60.65 58.96 2oq3 h LYS 19 Cb 1.19 -0.19 -0.03 0.00 -0.41 0.00 0.00 32.23 32.80 2oq3 h LYS 19 CO 0.62 0.55 0.44 0.16 -2.27 0.00 0.00 179.45 178.95 2oq3 s ASP 20 N -5.75 -0.03 0.33 4.20 -4.77 -1.26 -5.00 116.67 104.39 2oq3 s ASP 20 Ca -0.13 -0.82 0.05 0.00 -3.30 0.00 0.00 52.55 48.35 2oq3 s ASP 20 Cb 0.15 0.64 0.69 0.00 -1.09 0.00 0.00 42.92 43.31 2oq3 s ASP 20 CO 0.77 -1.27 1.89 4.11 0.70 0.00 0.00 175.17 181.37 2oq3 h TRP 21 N 2.00 0.92 -0.02 2.11 0.09 -1.89 0.96 115.95 120.11 2oq3 h TRP 21 Ca -0.28 0.03 -0.00 0.00 0.09 0.00 0.00 58.89 58.72 2oq3 h TRP 21 Cb 1.23 -0.30 -0.00 0.00 0.08 0.00 0.00 29.16 30.18 2oq3 h TRP 21 CO 1.21 0.40 0.01 1.96 0.09 0.00 0.00 178.44 182.11 2oq3 h GLN 22 N 0.84 0.04 -0.32 0.12 4.20 -1.97 -2.60 115.11 115.42 2oq3 h GLN 22 Ca 0.42 -0.01 -0.00 0.00 0.06 0.00 0.00 58.65 59.12 2oq3 h GLN 22 Cb 0.48 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.24 2oq3 h GLN 22 CO -0.19 0.16 0.19 1.49 -0.67 0.00 0.00 178.83 179.81 2oq3 h GLU 23 N -0.09 0.43 -0.49 1.46 4.57 -1.76 -1.51 114.58 117.19 2oq3 h GLU 23 Ca 0.01 -0.03 -0.08 0.00 -1.18 0.00 0.00 59.36 58.08 2oq3 h GLU 23 Cb 0.13 -0.09 -0.02 0.00 -0.16 0.00 0.00 28.75 28.61 2oq3 h GLU 23 CO -0.00 0.31 -0.00 0.00 -1.18 0.00 0.00 179.01 178.13 2oq3 h ALA 24 N 1.77 1.07 -0.20 2.92 0.00 -0.56 0.23 119.26 124.50 2oq3 h ALA 24 Ca 0.12 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 2oq3 h ALA 24 Cb -0.01 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 2oq3 h ALA 24 CO -0.02 0.58 0.04 0.82 0.00 0.00 0.00 179.25 180.67 2oq3 h ILE 25 N 0.76 1.22 -0.15 0.00 2.04 -1.03 -2.21 117.51 118.14 2oq3 h ILE 25 Ca 0.15 -0.71 0.01 0.00 1.00 0.00 0.00 64.86 65.31 2oq3 h ILE 25 Cb 0.47 1.31 -0.02 0.00 -0.74 0.00 0.00 36.82 37.84 2oq3 h ILE 25 CO 0.02 0.22 0.06 -0.78 0.00 0.00 0.00 178.15 177.67 2oq3 h ASP 26 N 0.13 0.07 -0.09 1.72 1.82 -0.38 0.15 116.42 119.84 2oq3 h ASP 26 Ca 0.06 0.01 -0.01 0.00 -0.39 0.00 0.00 57.03 56.71 2oq3 h ASP 26 Cb 0.30 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 40.31 2oq3 h ASP 26 CO 0.00 0.06 0.04 -0.26 -1.61 0.00 0.00 179.24 177.48 2oq3 h PHE 27 N 0.13 0.17 -0.00 0.28 0.04 -0.63 0.12 116.94 117.04 2oq3 h PHE 27 Ca 0.07 -0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.83 2oq3 h PHE 27 Cb 0.03 -0.05 0.00 0.00 2.20 0.00 0.00 35.95 38.13 2oq3 h PHE 27 CO -0.11 0.14 -0.12 0.43 -0.60 0.00 0.00 178.31 178.06 2oq3 n SER 28 N -4.47 0.16 0.00 2.17 7.64 -0.09 -4.15 113.62 114.88 2oq3 n SER 28 Ca -0.01 0.16 0.00 0.00 1.01 0.00 0.00 58.87 60.03 2oq3 n SER 28 Cb 0.12 -0.27 0.00 0.00 -1.01 0.00 0.00 64.21 63.04 2oq3 n SER 28 CO 0.00 0.00 0.00 0.23 -3.01 0.00 0.00 175.04 172.26 2oq3 n MET 29 N -1.42 0.69 -0.07 1.43 2.81 -0.43 -4.50 117.12 115.64 2oq3 n MET 29 Ca 0.08 0.00 0.09 0.00 -1.81 0.00 0.00 57.70 56.06 2oq3 n MET 29 Cb 0.32 -0.97 0.47 0.00 -0.71 0.00 0.00 33.22 32.33 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 0.00 2.03 3.04 -0.96 -0.32 116.25 121.01 2oq3 h VAL 30 Ca 0.00 -0.17 -0.05 0.00 -1.01 0.00 0.00 66.70 65.47 2oq3 h VAL 30 Cb 0.09 0.44 -0.01 0.00 -2.01 0.00 0.00 31.29 29.80 2oq3 h VAL 30 CO 0.00 0.09 -0.24 0.28 -1.01 0.00 0.00 177.57 176.69 2oq3 h SER 31 N 0.48 0.00 0.17 3.17 0.02 -1.84 0.13 113.55 115.69 2oq3 h SER 31 Ca 0.25 0.00 -0.25 0.00 -0.84 0.00 0.00 61.79 60.95 2oq3 h SER 31 Cb 0.35 0.00 0.03 0.00 0.14 0.00 0.00 62.40 62.92 2oq3 h SER 31 CO -0.07 0.24 -1.08 -0.07 -1.14 0.00 0.00 176.83 174.71 2oq3 h LEU 32 N 0.00 0.65 -0.65 5.07 3.38 -1.45 -3.33 115.31 118.98 2oq3 h LEU 32 Ca -0.00 -0.92 0.05 0.00 0.09 0.00 0.00 57.88 57.10 2oq3 h LEU 32 Cb 0.44 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 40.93 2oq3 h LEU 32 CO 0.03 1.52 0.38 0.25 0.09 0.00 0.00 178.44 180.71 2oq3 h LEU 33 N -0.10 0.59 -2.12 1.67 5.85 -0.49 -0.09 115.31 120.62 2oq3 h LEU 33 Ca -0.18 0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.56 2oq3 h LEU 33 Cb 1.84 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 42.76 2oq3 h LEU 33 CO 0.20 0.40 0.03 -0.78 -0.34 0.00 0.00 178.44 177.95 2oq3 h ASP 34 N 0.72 0.00 -0.27 1.25 3.58 -0.89 -1.21 116.42 119.61 2oq3 h ASP 34 Ca 0.28 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.71 2oq3 h ASP 34 Cb 0.11 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.15 2oq3 h ASP 34 CO -0.15 0.00 -0.00 0.29 -2.88 0.00 0.00 179.24 176.50 2oq3 n LYS 35 N -4.35 2.75 -3.05 0.28 5.02 -0.96 -4.97 118.16 112.89 2oq3 n LYS 35 Ca -0.02 -2.87 -0.18 0.00 -2.02 0.00 0.00 58.31 53.22 2oq3 n LYS 35 Cb 0.12 -1.84 -0.01 0.00 -0.02 0.00 0.00 35.03 33.29 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 -0.61 -3.22 0.27 4.39 6.94 -0.46 -4.85 115.26 117.72 2oq3 n ASN 36 Ca 0.23 -0.14 0.15 0.00 -0.02 0.00 0.00 54.58 54.80 2oq3 n ASN 36 Cb 0.91 -2.72 0.71 0.00 -2.36 0.00 0.00 39.78 36.32 2oq3 n ASN 36 CO 0.00 0.00 0.00 1.88 -1.03 0.00 0.00 177.26 178.11 2oq3 h TYR 37 N -0.55 0.00 -4.23 -2.53 -1.99 -1.24 -3.40 116.97 103.03 2oq3 h TYR 37 Ca -0.33 0.00 -0.21 0.00 2.00 0.00 0.00 58.73 60.19 2oq3 h TYR 37 Cb 1.23 0.00 -0.12 0.00 2.00 0.00 0.00 36.73 39.84 2oq3 h TYR 37 CO 0.72 0.09 -0.36 0.96 -0.00 0.00 0.00 178.16 179.56 2oq3 s ILE 38 N -3.86 0.00 0.27 -2.88 -4.36 -1.25 -0.64 121.20 108.49 2oq3 s ILE 38 Ca -0.01 -1.73 0.08 0.00 -0.26 0.00 0.00 60.65 58.73 2oq3 s ILE 38 Cb 0.11 -2.44 -0.04 0.00 1.25 0.00 0.00 42.46 41.34 2oq3 s ILE 38 CO 0.56 0.00 0.13 -0.44 0.24 0.00 0.00 174.94 175.43 2oq3 s SER 39 N -3.15 5.07 0.42 4.36 0.01 -0.10 -4.70 113.70 115.62 2oq3 s SER 39 Ca 0.32 -0.47 0.10 0.00 1.31 0.00 0.00 55.95 57.21 2oq3 s SER 39 Cb 0.03 -1.10 0.91 0.00 0.21 0.00 0.00 66.02 66.07 2oq3 s SER 39 CO 0.14 -0.08 2.02 -0.33 0.41 0.00 0.00 173.24 175.40 2oq3 h GLU 40 N 1.61 0.32 -0.67 12.44 5.08 -1.95 -1.45 114.58 129.96 2oq3 h GLU 40 Ca -0.46 -0.04 0.03 0.00 -1.00 0.00 0.00 59.36 57.89 2oq3 h GLU 40 Cb 1.25 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 30.39 2oq3 h GLU 40 CO 0.61 0.29 0.44 -0.97 -1.00 0.00 0.00 179.01 178.38 2oq3 h ASN 41 N 0.32 0.71 -0.23 1.42 -1.24 -1.94 -2.45 115.58 112.18 2oq3 h ASN 41 Ca 0.08 -0.01 0.02 0.00 0.71 0.00 0.00 56.30 57.10 2oq3 h ASN 41 Cb 0.11 -0.17 -0.02 0.00 0.73 0.00 0.00 38.32 38.97 2oq3 h ASN 41 CO -0.01 0.49 0.10 0.22 -1.29 0.00 0.00 177.43 176.95 2oq3 h TYR 42 N 0.82 0.19 -0.11 0.67 3.20 -0.97 0.45 116.97 121.23 2oq3 h TYR 42 Ca 0.27 0.01 0.02 0.00 3.14 0.00 0.00 58.73 62.17 2oq3 h TYR 42 Cb 0.04 -0.05 -0.02 0.00 1.54 0.00 0.00 36.73 38.24 2oq3 h TYR 42 CO -0.00 0.10 -0.02 0.82 -1.64 0.00 0.00 178.16 177.42 2oq3 h ILE 43 N 0.23 0.90 0.00 1.81 2.04 -1.51 -2.56 117.51 118.42 2oq3 h ILE 43 Ca 0.10 -0.00 -0.06 0.00 1.00 0.00 0.00 64.86 65.89 2oq3 h ILE 43 Cb 0.04 0.89 -0.01 0.00 -0.74 0.00 0.00 36.82 37.00 2oq3 h ILE 43 CO -0.08 0.00 -0.28 -0.61 0.00 0.00 0.00 178.15 177.18 2oq3 h GLN 44 N 0.01 0.00 -0.98 2.37 5.75 -0.98 -1.86 115.11 119.42 2oq3 h GLN 44 Ca 0.05 0.00 0.01 0.00 -0.15 0.00 0.00 58.65 58.56 2oq3 h GLN 44 Cb 0.07 0.00 -0.05 0.00 1.07 0.00 0.00 27.48 28.58 2oq3 h GLN 44 CO -0.10 0.28 0.64 0.00 -2.65 0.00 0.00 178.83 177.00 2oq3 h ALA 45 N 1.72 1.25 0.12 3.38 0.00 -0.50 0.12 119.26 125.34 2oq3 h ALA 45 Ca -0.00 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 2oq3 h ALA 45 Cb 0.63 -0.40 0.00 0.00 0.00 0.00 0.00 17.79 18.02 2oq3 h ALA 45 CO 0.04 0.66 -0.06 0.82 0.00 0.00 0.00 179.25 180.71 2oq3 h ILE 46 N 1.34 1.07 -0.64 0.00 2.04 -1.22 -1.59 117.51 118.51 2oq3 h ILE 46 Ca 0.36 -0.83 0.02 0.00 1.00 0.00 0.00 64.86 65.41 2oq3 h ILE 46 Cb -0.13 1.58 -0.04 0.00 -0.74 0.00 0.00 36.82 37.49 2oq3 h ILE 46 CO -0.07 0.20 0.40 0.11 0.00 0.00 0.00 178.15 178.78 2oq3 h LYS 47 N -0.56 0.77 -0.33 2.37 1.57 -1.16 0.33 116.57 119.58 2oq3 h LYS 47 Ca -0.02 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.69 2oq3 h LYS 47 Cb 0.44 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.56 2oq3 h LYS 47 CO 0.03 0.51 0.11 0.22 -0.57 0.00 0.00 179.45 179.75 2oq3 h ASP 48 N 0.80 0.47 -0.63 0.86 3.58 -0.78 -0.90 116.42 119.82 2oq3 h ASP 48 Ca 0.25 -0.19 -0.04 0.00 0.42 0.00 0.00 57.03 57.47 2oq3 h ASP 48 Cb -0.00 -0.12 -0.03 0.00 1.72 0.00 0.00 39.33 40.90 2oq3 h ASP 48 CO -0.09 0.53 0.24 0.28 -2.88 0.00 0.00 179.24 177.32 2oq3 h SER 49 N 0.38 0.91 -0.15 2.28 0.02 -0.86 0.24 113.55 116.37 2oq3 h SER 49 Ca 0.11 -0.14 -0.00 0.00 -0.84 0.00 0.00 61.79 60.91 2oq3 h SER 49 Cb 0.23 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.52 2oq3 h SER 49 CO -0.01 0.83 0.09 0.74 -1.14 0.00 0.00 176.83 177.35 2oq3 h THR 50 N 0.96 1.07 -0.54 -2.27 2.02 -0.61 -1.33 112.91 112.20 2oq3 h THR 50 Ca 0.22 -0.17 -0.06 0.00 0.77 0.00 0.00 66.41 67.17 2oq3 h THR 50 Cb 0.23 0.91 -0.02 0.00 -1.74 0.00 0.00 68.15 67.53 2oq3 h THR 50 CO -0.01 0.06 0.09 0.40 0.37 0.00 0.00 175.52 176.43 2oq3 h ILE 51 N 0.17 1.25 -0.23 3.11 2.04 -0.83 -2.26 117.51 120.76 2oq3 h ILE 51 Ca 0.05 -0.95 -0.15 0.00 1.00 0.00 0.00 64.86 64.81 2oq3 h ILE 51 Cb 0.02 0.82 -0.01 0.00 -0.74 0.00 0.00 36.82 36.91 2oq3 h ILE 51 CO -0.01 0.34 -0.49 0.78 0.00 0.00 0.00 178.15 178.78 2oq3 h ASN 52 N 0.79 0.68 0.00 1.72 2.35 -0.67 -3.43 115.58 117.01 2oq3 h ASN 52 Ca 0.17 -0.34 0.00 0.00 -0.55 0.00 0.00 56.30 55.58 2oq3 h ASN 52 Cb 0.40 -0.19 0.00 0.00 0.05 0.00 0.00 38.32 38.58 2oq3 h ASN 52 CO 0.01 1.06 0.00 -3.20 -1.65 0.00 0.00 177.43 173.65 2oq3 n ASN 53 N -3.99 0.00 0.00 5.81 5.15 -0.55 -5.09 115.26 116.59 2oq3 n ASN 53 Ca -0.03 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.95 2oq3 n ASN 53 Cb 0.57 0.07 0.00 0.00 -0.53 0.00 0.00 39.78 39.89 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 0.78 2.99 3.72 8.20 0.00 -0.85 -4.45 105.19 115.58 2oq3 n GLY 54 Ca 0.00 -1.17 -0.40 0.00 0.00 0.00 0.00 46.02 44.45 2oq3 n GLY 54 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2oq3 n PRO 55 N -1.29 1.84 -0.34 1.61 -0.04 -1.26 -3.65 135.00 131.86 2oq3 n PRO 55 Ca 0.00 0.66 0.09 0.00 -0.04 0.00 0.00 63.50 64.21 2oq3 n PRO 55 Cb 0.00 -2.48 0.26 0.00 -0.04 0.00 0.00 33.50 31.24 2oq3 n PRO 55 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 2oq3 h TYR 56 N 1.78 1.02 -2.81 0.54 -1.99 -1.88 -3.42 116.97 110.23 2oq3 h TYR 56 Ca -0.49 0.03 -0.13 0.00 2.00 0.00 0.00 58.73 60.14 2oq3 h TYR 56 Cb 1.30 -0.31 -0.24 0.00 2.00 0.00 0.00 36.73 39.48 2oq3 h TYR 56 CO 0.47 0.32 -0.26 0.71 -0.00 0.00 0.00 178.16 179.40 2oq3 s TYR 57 N -5.93 -0.41 -0.04 4.88 2.02 -1.26 -5.01 117.35 111.61 2oq3 s TYR 57 Ca -0.12 1.00 0.03 0.00 -0.37 0.00 0.00 57.07 57.61 2oq3 s TYR 57 Cb 0.23 0.14 0.01 0.00 -0.40 0.00 0.00 41.96 41.94 2oq3 s TYR 57 CO 0.80 -0.22 -0.10 0.42 -1.57 0.00 0.00 175.55 174.88 2oq3 s ILE 58 N 0.12 0.88 -0.03 2.71 -1.09 -1.26 -1.97 121.20 120.56 2oq3 s ILE 58 Ca -0.01 -0.39 0.03 0.00 -2.23 0.00 0.00 60.65 58.05 2oq3 s ILE 58 Cb -0.03 -0.79 -0.04 0.00 -1.58 0.00 0.00 42.46 40.02 2oq3 s ILE 58 CO 0.01 0.28 0.02 0.18 -1.23 0.00 0.00 174.94 174.19 2oq3 n LEU 59 N 3.42 0.00 -3.59 2.97 7.99 -0.71 -4.99 117.00 122.10 2oq3 n LEU 59 Ca -0.20 0.00 -0.07 0.00 -0.01 0.00 0.00 56.01 55.73 2oq3 n LEU 59 Cb 0.53 0.07 -0.02 0.00 -0.11 0.00 0.00 43.42 43.89 2oq3 n LEU 59 CO 0.25 0.07 0.65 0.00 -1.51 0.00 0.00 177.39 176.85 2oq3 s ALA 60 N -2.09 -1.71 -0.35 -1.18 0.00 -1.23 -5.04 121.76 110.16 2oq3 s ALA 60 Ca -0.02 0.60 -0.41 0.00 0.00 0.00 0.00 51.96 52.14 2oq3 s ALA 60 Cb 0.01 0.57 -0.16 0.00 0.00 0.00 0.00 23.12 23.54 2oq3 s ALA 60 CO 0.13 -0.83 1.86 -2.30 0.00 0.00 0.00 175.76 174.62 2oq3 n PRO 61 N -0.34 0.85 -0.61 0.00 -0.02 -1.26 -1.34 135.00 132.28 2oq3 n PRO 61 Ca -0.09 0.29 0.00 0.00 -2.02 0.00 0.00 63.50 61.68 2oq3 n PRO 61 Cb 0.62 -2.02 0.00 0.00 -0.02 0.00 0.00 33.50 32.08 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 5.04 0.79 3.01 -1.23 0.00 -1.25 -5.00 105.19 106.56 2oq3 n GLY 62 Ca 0.33 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 46.09 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 1.22 0.25 1.61 1.01 -0.45 -1.32 120.40 119.62 2oq3 s VAL 63 Ca 0.00 -0.49 0.05 0.00 0.00 0.00 0.00 61.98 61.54 2oq3 s VAL 63 Cb 0.00 -1.14 -0.05 0.00 0.00 0.00 0.00 36.38 35.19 2oq3 s VAL 63 CO 0.00 0.38 -0.04 0.00 0.00 0.00 0.00 175.10 175.44 2oq3 s ALA 64 N 0.97 2.07 -0.45 5.51 0.00 -0.26 -1.73 121.76 127.87 2oq3 s ALA 64 Ca -0.08 -1.81 0.06 0.00 0.00 0.00 0.00 51.96 50.12 2oq3 s ALA 64 Cb -0.15 0.28 0.20 0.00 0.00 0.00 0.00 23.12 23.45 2oq3 s ALA 64 CO -0.00 -0.13 0.57 -0.12 0.00 0.00 0.00 175.76 176.07 2oq3 n MET 65 N -0.49 0.46 0.00 0.00 0.00 -0.83 -2.22 117.12 114.05 2oq3 n MET 65 Ca -0.06 -2.62 0.00 0.00 0.00 0.00 0.00 57.70 55.02 2oq3 n MET 65 Cb 0.63 -1.50 0.00 0.00 0.00 0.00 0.00 33.22 32.35 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 2.47 0.00 -0.89 2.12 -0.02 -1.19 -4.00 135.00 133.49 2oq3 n PRO 66 Ca 0.22 0.00 0.11 0.00 -2.02 0.00 0.00 63.50 61.81 2oq3 n PRO 66 Cb 0.53 -0.55 -0.03 0.00 -0.02 0.00 0.00 33.50 33.43 2oq3 n PRO 66 CO 0.00 0.00 0.00 -2.39 1.98 0.00 0.00 175.50 175.09 2oq3 n HIS 67 N -0.05 -2.10 -4.17 6.00 1.44 -1.26 -4.53 115.22 110.55 2oq3 n HIS 67 Ca 0.00 1.06 -0.11 0.00 -2.01 0.00 0.00 57.72 56.66 2oq3 n HIS 67 Cb 0.00 -1.91 -0.10 0.00 0.12 0.00 0.00 29.99 28.10 2oq3 n HIS 67 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2oq3 s ALA 68 N -2.12 1.01 0.56 1.59 0.00 -1.26 -4.77 121.76 116.77 2oq3 s ALA 68 Ca 0.00 -1.35 -0.21 0.00 0.00 0.00 0.00 51.96 50.40 2oq3 s ALA 68 Cb 0.00 0.15 -0.04 0.00 0.00 0.00 0.00 23.12 23.23 2oq3 s ALA 68 CO 0.00 -0.22 1.29 1.03 0.00 0.00 0.00 175.76 177.86 2oq3 s ARG 69 N -3.80 3.07 0.30 0.00 1.81 -1.26 -4.84 118.95 114.22 2oq3 s ARG 69 Ca 0.12 2.07 0.03 0.00 -1.72 0.00 0.00 55.73 56.23 2oq3 s ARG 69 Cb 0.05 -2.13 0.76 0.00 -0.45 0.00 0.00 34.95 33.17 2oq3 s ARG 69 CO -0.04 -1.20 1.63 -1.35 -0.68 0.00 0.00 175.30 173.66 2oq3 h PRO 70 N 1.24 0.17 0.00 3.54 0.11 -1.93 -0.75 132.00 134.38 2oq3 h PRO 70 Ca -0.51 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.59 2oq3 h PRO 70 Cb 1.30 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.37 2oq3 h PRO 70 CO 0.56 0.11 0.00 -0.85 -0.21 0.00 0.00 178.00 177.62 2oq3 n GLU 71 N -5.26 0.06 0.00 1.05 0.28 -1.26 -1.26 120.64 114.26 2oq3 n GLU 71 Ca 0.23 0.53 0.15 0.00 -0.16 0.00 0.00 57.16 57.90 2oq3 n GLU 71 Cb 0.73 -1.69 0.78 0.00 1.43 0.00 0.00 31.44 32.69 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 1.12 1.21 3.76 0.00 0.00 -0.81 -2.54 105.19 107.93 2oq3 n GLY 73 Ca 0.16 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.82 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 -1.26 2.62 0.00 4.61 0.00 -0.39 -0.92 121.76 126.42 2oq3 s ALA 74 Ca 0.00 1.02 0.00 0.00 0.00 0.00 0.00 51.96 52.98 2oq3 s ALA 74 Cb 0.00 -3.45 0.00 0.00 0.00 0.00 0.00 23.12 19.67 2oq3 s ALA 74 CO 0.00 -1.11 0.00 1.28 0.00 0.00 0.00 175.76 175.93 2oq3 n LEU 75 N -1.41 0.21 -3.87 0.00 4.77 0.19 -4.81 117.00 112.08 2oq3 n LEU 75 Ca 0.13 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 56.01 2oq3 n LEU 75 Cb 0.49 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.50 2oq3 n LEU 75 CO 0.45 0.04 -0.12 -0.54 -1.33 0.00 0.00 177.39 175.89 2oq3 s LYS 76 N -1.46 0.74 -0.16 3.23 1.02 -0.51 -4.72 119.74 117.87 2oq3 s LYS 76 Ca 0.00 -0.82 -0.20 0.00 0.02 0.00 0.00 55.97 54.98 2oq3 s LYS 76 Cb 0.00 0.30 -0.03 0.00 -0.52 0.00 0.00 37.83 37.58 2oq3 s LYS 76 CO 0.00 -0.22 0.56 0.99 -0.92 0.00 0.00 175.35 175.77 2oq3 s THR 77 N -3.21 5.09 0.08 2.17 2.01 -1.26 -3.65 115.64 116.88 2oq3 s THR 77 Ca -0.00 1.09 -0.10 0.00 0.31 0.00 0.00 61.69 62.99 2oq3 s THR 77 Cb 0.02 -3.89 0.04 0.00 0.01 0.00 0.00 72.50 68.67 2oq3 s THR 77 CO -0.07 0.20 0.48 0.61 -0.69 0.00 0.00 174.62 175.15 2oq3 n GLY 78 N 3.60 0.95 3.58 4.40 0.00 -0.09 -4.94 105.19 112.69 2oq3 n GLY 78 Ca -0.04 -1.02 -0.09 0.00 0.00 0.00 0.00 46.02 44.87 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 -2.02 1.54 0.25 1.61 -1.94 0.70 -0.49 119.30 118.94 2oq3 s MET 79 Ca 0.11 -1.27 -0.14 0.00 -1.71 0.00 0.00 55.69 52.67 2oq3 s MET 79 Cb -0.01 0.46 0.00 0.00 2.01 0.00 0.00 34.83 37.29 2oq3 s MET 79 CO 0.02 -0.64 0.52 -1.12 -0.01 0.00 0.00 175.02 173.80 2oq3 s SER 80 N -3.02 -0.13 -0.06 3.03 0.01 -0.56 -4.26 113.70 108.71 2oq3 s SER 80 Ca 0.23 -0.85 -0.02 0.00 1.31 0.00 0.00 55.95 56.62 2oq3 s SER 80 Cb -0.00 0.61 0.04 0.00 0.21 0.00 0.00 66.02 66.87 2oq3 s SER 80 CO 0.09 -1.17 0.13 -0.22 0.41 0.00 0.00 173.24 172.48 2oq3 s LEU 81 N -2.99 0.79 -0.02 2.44 2.96 0.91 -0.45 118.68 122.32 2oq3 s LEU 81 Ca 0.20 0.25 0.01 0.00 -0.22 0.00 0.00 54.13 54.37 2oq3 s LEU 81 Cb -0.02 0.29 0.01 0.00 0.50 0.00 0.00 46.19 46.98 2oq3 s LEU 81 CO 0.08 -0.14 -0.03 -0.89 -1.32 0.00 0.00 176.35 174.05 2oq3 s THR 82 N 1.14 0.33 -0.05 3.68 2.01 -0.18 -1.49 115.64 121.07 2oq3 s THR 82 Ca -0.09 -0.07 0.04 0.00 0.31 0.00 0.00 61.69 61.88 2oq3 s THR 82 Cb -0.12 -0.35 -0.00 0.00 0.01 0.00 0.00 72.50 72.04 2oq3 s THR 82 CO -0.05 0.14 -0.18 -0.22 -0.69 0.00 0.00 174.62 173.62 2oq3 s LEU 83 N 0.54 1.92 -0.12 4.42 2.96 -0.53 -1.05 118.68 126.82 2oq3 s LEU 83 Ca -0.06 -0.37 -0.01 0.00 -0.22 0.00 0.00 54.13 53.46 2oq3 s LEU 83 Cb -0.09 -1.02 -0.03 0.00 0.50 0.00 0.00 46.19 45.55 2oq3 s LEU 83 CO -0.01 0.15 -0.07 -0.76 -1.32 0.00 0.00 176.35 174.35 2oq3 s LEU 84 N 0.09 3.11 0.10 -0.68 1.02 0.59 -0.54 118.68 122.37 2oq3 s LEU 84 Ca -0.06 -0.13 -0.16 0.00 0.02 0.00 0.00 54.13 53.80 2oq3 s LEU 84 Cb -0.12 -1.71 -0.06 0.00 0.02 0.00 0.00 46.19 44.31 2oq3 s LEU 84 CO 0.03 0.24 1.50 -0.33 0.02 0.00 0.00 176.35 177.80 2oq3 h GLU 85 N 6.18 0.63 0.00 1.70 5.08 -0.56 -3.25 114.58 124.37 2oq3 h GLU 85 Ca -0.36 -0.25 -0.12 0.00 -1.00 0.00 0.00 59.36 57.63 2oq3 h GLU 85 Cb 1.19 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.39 2oq3 h GLU 85 CO 0.58 0.82 -0.86 1.96 -1.00 0.00 0.00 179.01 180.50 2oq3 h GLN 86 N 0.41 0.00 -1.47 2.33 1.08 -1.40 -3.50 115.11 112.56 2oq3 h GLN 86 Ca 0.08 0.00 0.15 0.00 -1.45 0.00 0.00 58.65 57.43 2oq3 h GLN 86 Cb 0.59 0.00 -0.07 0.00 -0.05 0.00 0.00 27.48 27.95 2oq3 h GLN 86 CO 0.03 0.37 -0.46 0.41 -0.95 0.00 0.00 178.83 178.23 2oq3 n GLY 87 N 1.28 -2.57 3.22 3.46 0.00 -1.23 -4.94 105.19 104.43 2oq3 n GLY 87 Ca -0.02 -1.31 -0.13 0.00 0.00 0.00 0.00 46.02 44.56 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 -3.00 0.66 -0.46 1.61 0.11 -0.65 -4.76 120.40 113.93 2oq3 s VAL 88 Ca 0.00 -1.97 0.04 0.00 -2.93 0.00 0.00 61.98 57.12 2oq3 s VAL 88 Cb 0.00 -2.02 0.12 0.00 -1.53 0.00 0.00 36.38 32.95 2oq3 s VAL 88 CO 0.00 -0.56 0.19 -0.47 -3.33 0.00 0.00 175.10 170.93 2oq3 s TYR 89 N -3.66 3.30 0.29 1.54 5.04 -1.26 -0.46 117.35 122.14 2oq3 s TYR 89 Ca 0.21 -3.07 -0.28 0.00 -2.44 0.00 0.00 57.07 51.49 2oq3 s TYR 89 Cb 0.06 -2.80 -0.14 0.00 0.35 0.00 0.00 41.96 39.43 2oq3 s TYR 89 CO 0.02 -0.81 1.00 1.19 -1.34 0.00 0.00 175.55 175.61 2oq3 n PHE 90 N 3.51 1.24 -1.06 4.97 3.72 -1.26 -4.88 117.46 123.70 2oq3 n PHE 90 Ca 0.05 0.71 -0.31 0.00 -0.05 0.00 0.00 57.45 57.84 2oq3 n PHE 90 Cb 0.35 -2.24 0.12 0.00 -0.94 0.00 0.00 39.48 36.77 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 -1.56 1.75 0.00 -1.08 0.04 -1.26 -3.58 135.00 129.31 2oq3 s PRO 91 Ca 0.59 1.39 0.00 0.00 0.04 0.00 0.00 61.00 63.02 2oq3 s PRO 91 Cb -0.70 -1.82 0.00 0.00 0.04 0.00 0.00 34.50 32.02 2oq3 s PRO 91 CO 0.60 -2.06 0.00 0.41 0.04 0.00 0.00 177.00 175.99 2oq3 n GLY 92 N -0.45 1.49 3.56 0.56 0.00 -1.26 -4.16 105.19 104.93 2oq3 n GLY 92 Ca 0.11 0.00 -0.30 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 0.00 0.69 -0.01 1.61 2.47 -1.23 -4.89 114.94 113.57 2oq3 s ASN 93 Ca 0.00 0.66 0.07 0.00 0.42 0.00 0.00 52.86 54.00 2oq3 s ASN 93 Cb 0.00 -0.92 -0.10 0.00 -1.45 0.00 0.00 41.25 38.78 2oq3 s ASN 93 CO 0.00 -4.27 0.14 -0.67 -3.72 0.00 0.00 177.10 168.58 2oq3 n ASP 94 N -4.86 3.50 -3.85 -4.21 2.03 -1.26 -5.01 116.55 102.88 2oq3 n ASP 94 Ca 0.13 0.00 -0.09 0.00 0.52 0.00 0.00 54.79 55.35 2oq3 n ASP 94 Cb 0.59 1.29 -0.06 0.00 -0.72 0.00 0.00 41.12 42.23 2oq3 n ASP 94 CO 0.00 0.00 0.00 -1.83 -1.92 0.00 0.00 177.20 173.45 2oq3 s GLU 95 N -2.45 1.11 0.72 -0.67 -1.05 -1.26 -5.15 118.70 109.94 2oq3 s GLU 95 Ca -0.02 -1.01 -0.16 0.00 -0.15 0.00 0.00 54.97 53.63 2oq3 s GLU 95 Cb 0.04 0.41 0.02 0.00 -0.44 0.00 0.00 34.13 34.16 2oq3 s GLU 95 CO 0.27 -0.42 1.11 -2.30 0.95 0.00 0.00 175.26 174.88 2oq3 n PRO 96 N -0.20 0.60 -4.75 -4.83 -0.02 -1.26 -4.66 135.00 119.88 2oq3 n PRO 96 Ca -0.11 0.27 -0.33 0.00 -2.02 0.00 0.00 63.50 61.31 2oq3 n PRO 96 Cb 0.63 -2.36 -0.15 0.00 -0.02 0.00 0.00 33.50 31.60 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 -1.77 2.76 -0.14 4.25 -1.09 0.39 -3.75 121.20 121.86 2oq3 s ILE 97 Ca 0.76 -0.76 0.08 0.00 -2.23 0.00 0.00 60.65 58.50 2oq3 s ILE 97 Cb -0.34 -2.15 -0.23 0.00 -1.58 0.00 0.00 42.46 38.16 2oq3 s ILE 97 CO 0.48 0.53 0.29 0.29 -1.23 0.00 0.00 174.94 175.29 2oq3 n LYS 98 N 3.73 0.68 -5.19 2.79 5.02 -0.43 -1.63 118.16 123.12 2oq3 n LYS 98 Ca -0.19 0.18 -0.32 0.00 -2.02 0.00 0.00 58.31 55.97 2oq3 n LYS 98 Cb 0.52 -1.66 -0.17 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 -6.23 2.14 -0.03 -0.35 1.98 -0.54 -0.30 118.68 115.34 2oq3 s LEU 99 Ca -0.15 -0.53 0.03 0.00 -2.89 0.00 0.00 54.13 50.59 2oq3 s LEU 99 Cb 0.07 -1.42 0.00 0.00 0.66 0.00 0.00 46.19 45.51 2oq3 s LEU 99 CO 0.78 0.18 -0.13 -0.76 -1.89 0.00 0.00 176.35 174.53 2oq3 s LEU 100 N 0.23 1.84 -0.13 -0.68 1.02 -0.22 -1.10 118.68 119.64 2oq3 s LEU 100 Ca -0.15 -0.26 -0.01 0.00 0.02 0.00 0.00 54.13 53.72 2oq3 s LEU 100 Cb -0.17 -0.74 -0.02 0.00 0.02 0.00 0.00 46.19 45.27 2oq3 s LEU 100 CO 0.08 0.10 -0.08 -0.63 0.02 0.00 0.00 176.35 175.84 2oq3 s ILE 101 N 0.14 3.52 0.20 -0.59 1.01 -0.94 -1.01 121.20 123.53 2oq3 s ILE 101 Ca -0.04 -0.50 0.05 0.00 0.00 0.00 0.00 60.65 60.16 2oq3 s ILE 101 Cb -0.10 -2.50 -0.04 0.00 0.01 0.00 0.00 42.46 39.84 2oq3 s ILE 101 CO 0.01 0.53 0.23 -0.83 0.00 0.00 0.00 174.94 174.88 2oq3 s GLY 102 N 0.10 1.52 0.04 6.18 0.00 0.41 -3.15 107.32 112.41 2oq3 s GLY 102 Ca -0.03 -1.24 -0.10 0.00 0.00 0.00 0.00 44.72 43.35 2oq3 s GLY 102 CO 0.04 -1.26 0.20 -2.27 0.00 0.00 0.00 173.10 169.81 2oq3 s LEU 103 N -3.53 1.32 -0.01 0.66 0.20 -1.26 -1.50 118.68 114.56 2oq3 s LEU 103 Ca 0.33 -0.34 -0.04 0.00 0.69 0.00 0.00 54.13 54.77 2oq3 s LEU 103 Cb -0.09 0.99 -0.00 0.00 -0.43 0.00 0.00 46.19 46.65 2oq3 s LEU 103 CO 0.26 -0.56 0.08 -0.94 -0.29 0.00 0.00 176.35 174.91 2oq3 s SER 104 N -2.05 0.03 -0.15 3.68 1.04 0.35 -4.66 113.70 111.94 2oq3 s SER 104 Ca -0.05 -0.12 -0.08 0.00 0.48 0.00 0.00 55.95 56.17 2oq3 s SER 104 Cb -0.01 0.18 0.06 0.00 0.10 0.00 0.00 66.02 66.34 2oq3 s SER 104 CO -0.04 -0.23 0.37 0.00 0.98 0.00 0.00 173.24 174.33 2oq3 s ALA 105 N -0.85 -0.92 -0.23 5.32 0.00 -1.24 -0.92 121.76 122.91 2oq3 s ALA 105 Ca -0.09 1.39 0.28 0.00 0.00 0.00 0.00 51.96 53.54 2oq3 s ALA 105 Cb -0.06 -0.87 0.91 0.00 0.00 0.00 0.00 23.12 23.10 2oq3 s ALA 105 CO 0.00 -0.27 1.80 0.00 0.00 0.00 0.00 175.76 177.29 2oq3 h ALA 106 N 7.21 1.00 -2.77 0.00 0.00 -1.85 -3.39 119.26 119.46 2oq3 h ALA 106 Ca -0.37 0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.39 2oq3 h ALA 106 Cb 1.17 0.00 -0.20 0.00 0.00 0.00 0.00 17.79 18.77 2oq3 h ALA 106 CO 0.31 0.00 -0.61 0.34 0.00 0.00 0.00 179.25 179.28 2oq3 s ASP 107 N -5.61 0.20 0.41 0.00 2.15 -1.26 -4.95 116.67 107.62 2oq3 s ASP 107 Ca 0.04 -0.49 0.08 0.00 0.43 0.00 0.00 52.55 52.61 2oq3 s ASP 107 Cb 0.08 0.16 0.86 0.00 -0.30 0.00 0.00 42.92 43.72 2oq3 s ASP 107 CO 0.58 -0.39 2.04 0.00 -0.17 0.00 0.00 175.17 177.23 2oq3 h ALA 108 N 4.21 1.69 0.02 3.66 0.00 -1.99 -0.42 119.26 126.42 2oq3 h ALA 108 Ca -0.32 -0.05 -0.20 0.00 0.00 0.00 0.00 54.91 54.33 2oq3 h ALA 108 Cb 1.19 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.82 2oq3 h ALA 108 CO 0.45 0.27 -0.95 0.22 0.00 0.00 0.00 179.25 179.24 2oq3 h ASP 109 N 0.49 0.09 -0.77 0.00 3.58 -1.98 -1.55 116.42 116.27 2oq3 h ASP 109 Ca 0.13 -0.09 -0.04 0.00 0.42 0.00 0.00 57.03 57.45 2oq3 h ASP 109 Cb 0.01 -0.03 -0.04 0.00 1.72 0.00 0.00 39.33 40.99 2oq3 h ASP 109 CO -0.02 0.99 0.34 0.28 -2.88 0.00 0.00 179.24 177.94 2oq3 h SER 110 N 0.03 1.05 -0.25 2.28 0.02 -1.79 -0.26 113.55 114.62 2oq3 h SER 110 Ca -0.03 -0.15 0.03 0.00 -0.84 0.00 0.00 61.79 60.80 2oq3 h SER 110 Cb 1.65 -0.27 -0.03 0.00 0.14 0.00 0.00 62.40 63.89 2oq3 h SER 110 CO 0.13 0.91 0.09 -0.74 -1.14 0.00 0.00 176.83 176.08 2oq3 h HIS 111 N 1.13 0.16 0.12 3.45 -0.00 -0.91 -0.52 115.15 118.57 2oq3 h HIS 111 Ca 0.26 0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.65 2oq3 h HIS 111 Cb 0.17 -0.03 -0.01 0.00 -0.00 0.00 0.00 27.41 27.54 2oq3 h HIS 111 CO 0.02 0.07 -0.11 0.82 -0.00 0.00 0.00 177.93 178.73 2oq3 h ILE 112 N 0.20 0.76 -0.86 6.26 1.08 -0.82 0.65 117.51 124.79 2oq3 h ILE 112 Ca 0.11 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.58 2oq3 h ILE 112 Cb 0.08 0.76 -0.04 0.00 -3.07 0.00 0.00 36.82 34.55 2oq3 h ILE 112 CO -0.12 0.00 0.54 1.23 -0.69 0.00 0.00 178.15 179.12 2oq3 h GLY 113 N -0.24 1.23 0.72 5.37 0.00 -0.89 -0.13 103.07 109.13 2oq3 h GLY 113 Ca 0.00 -0.49 -0.01 0.00 0.00 0.00 0.00 47.33 46.83 2oq3 h GLY 113 CO -0.02 0.48 -0.12 0.00 0.00 0.00 0.00 176.54 176.87 2oq3 h ALA 114 N 1.42 -0.34 -0.55 3.60 0.00 -0.78 -2.16 119.26 120.44 2oq3 h ALA 114 Ca 0.31 -0.17 0.11 0.00 0.00 0.00 0.00 54.91 55.16 2oq3 h ALA 114 Cb -0.09 0.13 -0.09 0.00 0.00 0.00 0.00 17.79 17.75 2oq3 h ALA 114 CO -0.06 -0.55 0.02 0.82 0.00 0.00 0.00 179.25 179.48 2oq3 h ILE 115 N -0.63 0.59 0.00 0.00 1.08 -0.62 0.29 117.51 118.21 2oq3 h ILE 115 Ca -0.03 -0.05 0.00 0.00 -0.39 0.00 0.00 64.86 64.39 2oq3 h ILE 115 Cb 0.45 0.43 0.00 0.00 -3.07 0.00 0.00 36.82 34.63 2oq3 h ILE 115 CO 0.06 0.03 0.00 1.56 -0.69 0.00 0.00 178.15 179.10 2oq3 h GLN 116 N 0.14 0.00 0.08 2.37 1.08 -0.90 0.11 115.11 118.00 2oq3 h GLN 116 Ca 0.28 0.00 -0.27 0.00 -1.45 0.00 0.00 58.65 57.21 2oq3 h GLN 116 Cb 0.43 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.85 2oq3 h GLN 116 CO -0.44 0.00 -1.43 0.00 -0.95 0.00 0.00 178.83 176.01 2oq3 h ALA 117 N 2.16 0.24 0.00 3.87 0.00 -0.39 -3.37 119.26 121.77 2oq3 h ALA 117 Ca 0.00 -1.15 -0.05 0.00 0.00 0.00 0.00 54.91 53.71 2oq3 h ALA 117 Cb 0.33 0.57 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 2oq3 h ALA 117 CO 0.00 0.85 -0.25 1.37 0.00 0.00 0.00 179.25 181.22 2oq3 h LEU 118 N -0.43 0.00 -2.70 0.00 8.10 -0.46 -1.44 115.31 118.37 2oq3 h LEU 118 Ca -0.33 0.00 -0.00 0.00 0.11 0.00 0.00 57.88 57.66 2oq3 h LEU 118 Cb 1.67 0.00 -0.00 0.00 -0.44 0.00 0.00 40.66 41.89 2oq3 h LEU 118 CO -0.00 0.25 -0.01 0.28 -4.11 0.00 0.00 178.44 174.85 2oq3 h SER 119 N 0.00 0.00 0.57 0.17 0.02 -0.95 0.17 113.55 113.54 2oq3 h SER 119 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2oq3 h SER 119 Cb 0.63 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.17 2oq3 h SER 119 CO 0.03 0.01 0.00 -0.33 -1.14 0.00 0.00 176.83 175.40 2oq3 h GLU 120 N 0.00 0.00 0.00 3.45 4.39 -1.42 -1.81 114.58 119.20 2oq3 h GLU 120 Ca -0.00 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.66 2oq3 h GLU 120 Cb 0.04 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.69 2oq3 h GLU 120 CO 0.00 0.00 -0.88 1.28 -1.16 0.00 0.00 179.01 178.25 2oq3 n LEU 121 N -2.72 1.65 0.23 1.33 4.77 0.34 -4.54 117.00 118.06 2oq3 n LEU 121 Ca -0.00 0.27 0.13 0.00 -0.03 0.00 0.00 56.01 56.38 2oq3 n LEU 121 Cb 0.19 -0.62 0.75 0.00 -2.33 0.00 0.00 43.42 41.41 2oq3 n LEU 121 CO 0.21 -0.31 1.11 -0.07 -1.33 0.00 0.00 177.39 177.00 2oq3 h LEU 122 N -0.70 0.00 -3.49 2.23 -0.00 -0.90 -2.48 115.31 109.97 2oq3 h LEU 122 Ca -0.07 0.00 -0.20 0.00 -0.00 0.00 0.00 57.88 57.61 2oq3 h LEU 122 Cb 0.80 0.00 -0.12 0.00 -0.00 0.00 0.00 40.66 41.34 2oq3 h LEU 122 CO -0.04 0.00 0.11 0.00 -0.00 0.00 0.00 178.44 178.51 2oq3 s GLU 124 N -3.13 0.78 0.56 0.00 0.41 -0.93 -4.99 118.70 111.41 2oq3 s GLU 124 Ca 0.48 -1.24 0.27 0.00 -0.41 0.00 0.00 54.97 54.07 2oq3 s GLU 124 Cb 0.41 -1.97 1.51 0.00 -1.78 0.00 0.00 34.13 32.30 2oq3 s GLU 124 CO 0.06 -1.04 2.03 1.05 -0.49 0.00 0.00 175.26 176.88 2oq3 h GLU 125 N 7.79 0.00 -0.35 1.61 4.11 -1.87 0.23 114.58 126.10 2oq3 h GLU 125 Ca -0.10 0.00 -0.04 0.00 0.07 0.00 0.00 59.36 59.29 2oq3 h GLU 125 Cb 1.00 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.23 2oq3 h GLU 125 CO 0.46 0.00 0.06 0.93 0.07 0.00 0.00 179.01 180.53 2oq3 h GLU 126 N 0.00 0.58 -0.33 1.06 5.08 -1.95 -2.17 114.58 116.86 2oq3 h GLU 126 Ca 0.16 -0.16 -0.04 0.00 -1.00 0.00 0.00 59.36 58.32 2oq3 h GLU 126 Cb 0.75 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.92 2oq3 h GLU 126 CO -0.00 0.65 0.03 0.82 -1.00 0.00 0.00 179.01 179.51 2oq3 h ILE 127 N 0.42 1.25 -0.61 3.13 5.03 -1.31 -3.05 117.51 122.37 2oq3 h ILE 127 Ca 0.11 -0.88 0.09 0.00 -0.12 0.00 0.00 64.86 64.06 2oq3 h ILE 127 Cb 0.35 1.18 -0.07 0.00 -3.03 0.00 0.00 36.82 35.25 2oq3 h ILE 127 CO 0.01 0.29 0.22 -0.07 -0.68 0.00 0.00 178.15 177.92 2oq3 h LEU 128 N 0.38 0.22 -0.76 1.44 3.38 -0.82 0.13 115.31 119.28 2oq3 h LEU 128 Ca 0.10 0.08 -0.09 0.00 0.09 0.00 0.00 57.88 58.06 2oq3 h LEU 128 Cb 0.39 0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.18 2oq3 h LEU 128 CO 0.01 0.13 -0.00 -0.33 0.09 0.00 0.00 178.44 178.34 2oq3 h GLU 129 N 0.40 0.94 -0.09 1.13 5.08 -1.43 0.89 114.58 121.50 2oq3 h GLU 129 Ca 0.31 -0.28 -0.12 0.00 -1.00 0.00 0.00 59.36 58.27 2oq3 h GLU 129 Cb 0.38 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 2oq3 h GLU 129 CO -0.31 0.94 -0.48 1.96 -1.00 0.00 0.00 179.01 180.11 2oq3 h GLN 130 N 0.87 0.23 0.17 2.33 4.20 -1.00 -0.92 115.11 120.98 2oq3 h GLN 130 Ca 0.16 -0.13 -0.01 0.00 0.06 0.00 0.00 58.65 58.74 2oq3 h GLN 130 Cb 0.52 0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.30 2oq3 h GLN 130 CO 0.03 0.67 -0.08 -0.07 -0.67 0.00 0.00 178.83 178.70 2oq3 h LEU 131 N 0.19 -0.19 -0.90 1.46 3.38 -0.84 -2.25 115.31 116.16 2oq3 h LEU 131 Ca 0.01 -0.30 0.00 0.00 0.09 0.00 0.00 57.88 57.68 2oq3 h LEU 131 Cb 0.92 0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.73 2oq3 h LEU 131 CO 0.07 0.23 0.03 0.18 0.09 0.00 0.00 178.44 179.05 2oq3 n LEU 132 N -5.00 0.35 -0.01 1.67 4.77 0.29 -1.14 117.00 117.92 2oq3 n LEU 132 Ca -0.09 0.65 0.01 0.00 -0.03 0.00 0.00 56.01 56.55 2oq3 n LEU 132 Cb 0.25 -0.69 0.01 0.00 -2.33 0.00 0.00 43.42 40.66 2oq3 n LEU 132 CO 0.30 -0.77 0.46 0.35 -1.33 0.00 0.00 177.39 176.40 2oq3 n THR 133 N -1.97 0.87 -1.66 -5.08 -2.24 -0.39 -5.05 114.28 98.76 2oq3 n THR 133 Ca -0.01 -0.90 -0.46 0.00 -2.27 0.00 0.00 64.05 60.41 2oq3 n THR 133 Cb 0.05 0.54 -0.04 0.00 -2.10 0.00 0.00 70.33 68.77 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 -0.47 1.20 0.39 6.98 0.00 -0.29 -4.87 120.51 123.45 2oq3 n ALA 134 Ca 0.01 0.21 0.13 0.00 0.00 0.00 0.00 53.44 53.79 2oq3 n ALA 134 Cb 0.33 -2.60 0.51 0.00 0.00 0.00 0.00 19.45 17.69 2oq3 n ALA 134 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2oq3 h SER 135 N 10.24 0.00 -5.01 0.00 4.64 -1.90 -3.47 113.55 118.05 2oq3 h SER 135 Ca -0.48 0.00 0.02 0.00 -0.47 0.00 0.00 61.79 60.86 2oq3 h SER 135 Cb 1.26 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 63.26 2oq3 h SER 135 CO 0.95 0.00 0.19 -0.94 -0.87 0.00 0.00 176.83 176.16 2oq3 s SER 136 N -4.72 -0.40 0.38 4.97 1.04 -1.26 -5.00 113.70 108.72 2oq3 s SER 136 Ca 0.05 -0.32 0.07 0.00 0.48 0.00 0.00 55.95 56.22 2oq3 s SER 136 Cb 0.09 0.65 0.75 0.00 0.10 0.00 0.00 66.02 67.62 2oq3 s SER 136 CO 0.47 -1.14 1.96 -0.33 0.98 0.00 0.00 173.24 175.18 2oq3 h GLU 137 N 2.03 0.47 -0.74 4.02 5.08 -1.92 -1.96 114.58 121.56 2oq3 h GLU 137 Ca -0.27 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.02 2oq3 h GLU 137 Cb 1.28 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 30.41 2oq3 h GLU 137 CO 0.32 0.43 0.47 -0.22 -1.00 0.00 0.00 179.01 179.00 2oq3 h LYS 138 N 0.47 0.98 0.00 2.33 1.63 -1.95 0.09 116.57 120.12 2oq3 h LYS 138 Ca 0.11 -0.07 -0.15 0.00 -0.85 0.00 0.00 60.65 59.69 2oq3 h LYS 138 Cb 0.16 -0.22 -0.02 0.00 -0.60 0.00 0.00 32.23 31.56 2oq3 h LYS 138 CO -0.01 0.67 -0.74 0.37 -3.45 0.00 0.00 179.45 176.30 2oq3 h GLN 139 N 1.01 0.00 -0.09 1.90 5.75 -1.77 0.12 115.11 122.02 2oq3 h GLN 139 Ca 0.27 0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.76 2oq3 h GLN 139 Cb -0.08 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 28.47 2oq3 h GLN 139 CO -0.05 0.74 0.01 -0.07 -2.65 0.00 0.00 178.83 176.80 2oq3 h LEU 140 N 0.00 0.15 -1.59 -2.39 3.38 -0.81 -2.78 115.31 111.27 2oq3 h LEU 140 Ca -0.01 -0.27 0.05 0.00 0.09 0.00 0.00 57.88 57.74 2oq3 h LEU 140 Cb 1.43 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 42.11 2oq3 h LEU 140 CO 0.10 0.38 0.35 0.00 0.09 0.00 0.00 178.44 179.36 2oq3 h ALA 141 N 0.77 1.85 -0.65 1.53 0.00 -0.87 -1.73 119.26 120.16 2oq3 h ALA 141 Ca 0.03 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 2oq3 h ALA 141 Cb 0.30 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 2oq3 h ALA 141 CO 0.00 0.07 0.26 0.22 0.00 0.00 0.00 179.25 179.80 2oq3 h ASP 142 N 0.51 0.89 -0.16 0.00 3.58 -0.64 0.63 116.42 121.22 2oq3 h ASP 142 Ca 0.23 -0.17 -0.12 0.00 0.42 0.00 0.00 57.03 57.39 2oq3 h ASP 142 Cb 0.25 -0.23 -0.01 0.00 1.72 0.00 0.00 39.33 41.06 2oq3 h ASP 142 CO -0.06 0.81 -0.31 0.40 -2.88 0.00 0.00 179.24 177.21 2oq3 h ILE 143 N 0.91 1.28 0.13 2.25 2.04 -1.09 -0.89 117.51 122.15 2oq3 h ILE 143 Ca 0.22 -1.43 0.01 0.00 1.00 0.00 0.00 64.86 64.65 2oq3 h ILE 143 Cb 0.20 1.38 -0.02 0.00 -0.74 0.00 0.00 36.82 37.64 2oq3 h ILE 143 CO -0.02 0.46 -0.15 0.40 0.00 0.00 0.00 178.15 178.84 2oq3 h ILE 144 N 0.56 0.66 0.00 -0.67 1.08 -1.07 -3.10 117.51 114.97 2oq3 h ILE 144 Ca 0.07 0.00 -0.03 0.00 -0.39 0.00 0.00 64.86 64.50 2oq3 h ILE 144 Cb 0.80 0.66 -0.00 0.00 -3.07 0.00 0.00 36.82 35.21 2oq3 h ILE 144 CO 0.07 0.00 -0.16 0.28 -0.69 0.00 0.00 178.15 177.64 2oq3 h SER 145 N -0.32 0.00 -0.03 1.72 0.02 -0.29 -1.26 113.55 113.39 2oq3 h SER 145 Ca 0.01 0.00 0.01 0.00 -0.84 0.00 0.00 61.79 60.97 2oq3 h SER 145 Cb 0.32 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.86 2oq3 h SER 145 CO -0.05 0.16 0.02 -0.09 -1.14 0.00 0.00 176.83 175.74 2oq3 h ARG 146 N 0.00 0.00 -0.01 3.45 2.43 -1.10 -3.47 114.38 115.68 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 0.33 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.88 2oq3 h ARG 146 CO 0.02 0.00 0.00 0.41 -1.51 0.00 0.00 179.97 178.89