#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 3.48 0.24 2.12 3.00 -1.26 -4.84 118.95 121.69 2oq3 s ARG 2 Ca 0.00 2.05 -0.04 0.00 0.00 0.00 0.00 55.73 57.74 2oq3 s ARG 2 Cb 0.00 -4.26 0.43 0.00 0.00 0.00 0.00 34.95 31.12 2oq3 s ARG 2 CO 0.00 -1.70 1.77 -0.07 0.00 0.00 0.00 175.30 175.30 2oq3 h LEU 3 N 13.42 0.49 -2.09 2.53 -0.00 -1.17 -1.61 115.31 126.88 2oq3 h LEU 3 Ca -0.41 0.08 0.03 0.00 -0.00 0.00 0.00 57.88 57.57 2oq3 h LEU 3 Cb 1.22 -0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.87 2oq3 h LEU 3 CO 0.97 0.25 0.32 0.77 -0.00 0.00 0.00 178.44 180.74 2oq3 h SER 4 N 0.62 0.00 0.14 -0.43 4.64 -1.72 0.07 113.55 116.86 2oq3 h SER 4 Ca 0.40 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.71 2oq3 h SER 4 Cb 0.49 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.58 2oq3 h SER 4 CO -0.31 0.00 -0.06 -0.78 -0.87 0.00 0.00 176.83 174.80 2oq3 h ASP 5 N 0.00 0.00 0.19 4.97 3.58 -1.64 -3.24 116.42 120.29 2oq3 h ASP 5 Ca 0.05 0.00 -0.08 0.00 0.42 0.00 0.00 57.03 57.41 2oq3 h ASP 5 Cb 0.68 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.72 2oq3 h ASP 5 CO -0.00 0.06 -1.89 -1.22 -2.88 0.00 0.00 179.24 173.31 2oq3 n TYR 6 N -3.90 0.21 -3.47 0.28 4.01 0.01 -4.80 117.16 109.50 2oq3 n TYR 6 Ca -0.03 0.07 -0.43 0.00 -0.16 0.00 0.00 57.90 57.35 2oq3 n TYR 6 Cb 0.15 -0.70 -0.07 0.00 -0.31 0.00 0.00 39.34 38.40 2oq3 n TYR 6 CO 0.00 0.00 0.00 -0.06 -0.46 0.00 0.00 176.86 176.34 2oq3 s PHE 7 N -3.26 3.34 0.00 -0.72 0.40 -1.22 -0.37 117.98 116.15 2oq3 s PHE 7 Ca -0.07 -1.56 0.00 0.00 -0.60 0.00 0.00 56.93 54.70 2oq3 s PHE 7 Cb 0.11 -3.49 0.00 0.00 0.51 0.00 0.00 43.02 40.16 2oq3 s PHE 7 CO 0.87 -0.96 0.37 -0.35 0.70 0.00 0.00 175.22 175.85 2oq3 n PRO 8 N 5.04 0.00 -3.44 0.24 -0.04 -1.26 -4.92 135.00 130.62 2oq3 n PRO 8 Ca -0.11 0.12 -0.12 0.00 -0.04 0.00 0.00 63.50 63.35 2oq3 n PRO 8 Cb 0.41 -0.92 -0.02 0.00 -0.04 0.00 0.00 33.50 32.93 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 -0.97 1.27 0.00 0.54 2.56 -1.26 -4.92 118.70 115.91 2oq3 s GLU 9 Ca 0.00 -0.49 0.00 0.00 0.00 0.00 0.00 54.97 54.48 2oq3 s GLU 9 Cb 0.00 0.58 0.00 0.00 2.00 0.00 0.00 34.13 36.71 2oq3 s GLU 9 CO 0.00 -0.55 0.00 0.43 -0.56 0.00 0.00 175.26 174.58 2oq3 n SER 10 N -0.37 -0.83 0.00 -1.70 7.64 -1.26 -4.81 113.62 112.28 2oq3 n SER 10 Ca -0.17 0.00 0.12 0.00 1.01 0.00 0.00 58.87 59.83 2oq3 n SER 10 Cb 0.65 -2.58 0.57 0.00 -1.01 0.00 0.00 64.21 61.84 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 -0.14 0.00 -4.20 6.43 3.41 -1.26 -4.70 113.62 113.15 2oq3 n SER 11 Ca 0.00 0.19 -0.32 0.00 -0.26 0.00 0.00 58.87 58.48 2oq3 n SER 11 Cb 0.07 -0.38 -0.17 0.00 -0.26 0.00 0.00 64.21 63.47 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 -2.76 2.02 -0.04 -1.33 1.01 -1.26 -0.17 121.20 118.67 2oq3 s ILE 12 Ca 0.18 -0.99 -0.11 0.00 0.00 0.00 0.00 60.65 59.73 2oq3 s ILE 12 Cb 0.16 -1.75 0.02 0.00 0.01 0.00 0.00 42.46 40.90 2oq3 s ILE 12 CO 0.40 0.55 0.25 -0.94 0.00 0.00 0.00 174.94 175.20 2oq3 s SER 13 N 0.41 -0.16 -0.03 3.58 1.04 -0.28 -4.98 113.70 113.28 2oq3 s SER 13 Ca -0.17 0.15 0.04 0.00 0.48 0.00 0.00 55.95 56.45 2oq3 s SER 13 Cb -0.18 0.36 -0.00 0.00 0.10 0.00 0.00 66.02 66.30 2oq3 s SER 13 CO 0.07 -0.32 -0.15 -0.69 0.98 0.00 0.00 173.24 173.13 2oq3 s VAL 14 N -0.89 1.28 0.02 5.02 1.01 -1.26 -1.11 120.40 124.48 2oq3 s VAL 14 Ca -0.10 -0.65 0.00 0.00 0.00 0.00 0.00 61.98 61.24 2oq3 s VAL 14 Cb -0.05 -1.10 -0.02 0.00 0.00 0.00 0.00 36.38 35.21 2oq3 s VAL 14 CO 0.02 0.37 -0.04 -0.63 0.00 0.00 0.00 175.10 174.83 2oq3 s ILE 15 N -0.03 0.17 -0.07 2.22 1.01 0.24 -4.96 121.20 119.78 2oq3 s ILE 15 Ca -0.01 -0.99 -0.26 0.00 0.00 0.00 0.00 60.65 59.38 2oq3 s ILE 15 Cb -0.10 -0.39 -0.23 0.00 0.01 0.00 0.00 42.46 41.75 2oq3 s ILE 15 CO 0.01 -0.52 1.03 -0.74 0.00 0.00 0.00 174.94 174.71 2oq3 h HIS 16 N 4.52 0.13 -2.28 3.97 -0.00 -1.94 -0.13 115.15 119.42 2oq3 h HIS 16 Ca -0.33 -0.07 -0.07 0.00 -0.00 0.00 0.00 60.37 59.90 2oq3 h HIS 16 Cb 1.20 -0.02 -0.19 0.00 -0.00 0.00 0.00 27.41 28.41 2oq3 h HIS 16 CO 0.65 0.84 0.07 -1.54 -0.00 0.00 0.00 177.93 177.95 2oq3 s SER 17 N -6.13 -0.54 0.53 3.26 1.04 -1.26 -0.57 113.70 110.03 2oq3 s SER 17 Ca -0.17 0.54 -0.14 0.00 0.48 0.00 0.00 55.95 56.66 2oq3 s SER 17 Cb 0.00 0.48 -0.07 0.00 0.10 0.00 0.00 66.02 66.54 2oq3 s SER 17 CO 0.71 -0.57 0.97 0.00 0.98 0.00 0.00 173.24 175.33 2oq3 s ALA 18 N -1.27 3.11 0.49 5.32 0.00 -1.26 -4.96 121.76 123.19 2oq3 s ALA 18 Ca -0.11 0.06 0.14 0.00 0.00 0.00 0.00 51.96 52.05 2oq3 s ALA 18 Cb -0.01 -3.06 1.16 0.00 0.00 0.00 0.00 23.12 21.20 2oq3 s ALA 18 CO 0.08 -0.34 2.11 -0.22 0.00 0.00 0.00 175.76 177.40 2oq3 h LYS 19 N 0.61 0.16 -2.48 0.00 3.64 -2.00 -3.46 116.57 113.04 2oq3 h LYS 19 Ca -0.46 -0.01 0.15 0.00 -1.27 0.00 0.00 60.65 59.06 2oq3 h LYS 19 Cb 1.19 -0.04 -0.06 0.00 -0.41 0.00 0.00 32.23 32.91 2oq3 h LYS 19 CO 0.62 0.10 0.49 0.34 -2.27 0.00 0.00 179.45 178.73 2oq3 s ASP 20 N -6.89 -0.10 0.36 4.20 2.15 -1.26 -4.95 116.67 110.17 2oq3 s ASP 20 Ca -0.06 -0.57 0.07 0.00 0.43 0.00 0.00 52.55 52.42 2oq3 s ASP 20 Cb 0.17 0.53 0.68 0.00 -0.30 0.00 0.00 42.92 44.01 2oq3 s ASP 20 CO 0.69 -1.02 1.89 4.11 -0.17 0.00 0.00 175.17 180.67 2oq3 h TRP 21 N 2.00 0.42 -0.15 -5.34 0.09 -1.92 0.16 115.95 111.21 2oq3 h TRP 21 Ca -0.26 -0.04 0.01 0.00 0.09 0.00 0.00 58.89 58.69 2oq3 h TRP 21 Cb 1.23 -0.12 -0.01 0.00 0.08 0.00 0.00 29.16 30.34 2oq3 h TRP 21 CO 0.79 0.46 0.07 1.96 0.09 0.00 0.00 178.44 181.82 2oq3 h GLN 22 N 0.38 0.15 -0.06 0.12 4.20 -1.95 -2.52 115.11 115.43 2oq3 h GLN 22 Ca 0.08 -0.01 -0.06 0.00 0.06 0.00 0.00 58.65 58.72 2oq3 h GLN 22 Cb 0.35 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.09 2oq3 h GLN 22 CO 0.02 0.10 -0.23 1.49 -0.67 0.00 0.00 178.83 179.53 2oq3 h GLU 23 N 0.15 0.10 -0.39 1.46 4.57 -1.75 -1.42 114.58 117.31 2oq3 h GLU 23 Ca 0.06 -0.03 -0.10 0.00 -1.18 0.00 0.00 59.36 58.11 2oq3 h GLU 23 Cb 0.02 -0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 28.58 2oq3 h GLU 23 CO -0.05 0.34 -0.17 0.00 -1.18 0.00 0.00 179.01 177.95 2oq3 h ALA 24 N 1.67 0.98 -0.29 2.92 0.00 -0.37 0.28 119.26 124.45 2oq3 h ALA 24 Ca 0.02 -0.34 -0.04 0.00 0.00 0.00 0.00 54.91 54.55 2oq3 h ALA 24 Cb 0.47 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 2oq3 h ALA 24 CO 0.03 0.60 0.04 0.82 0.00 0.00 0.00 179.25 180.74 2oq3 h ILE 25 N 0.64 1.24 -0.51 0.00 2.04 -1.03 -1.14 117.51 118.75 2oq3 h ILE 25 Ca 0.10 -0.82 0.05 0.00 1.00 0.00 0.00 64.86 65.20 2oq3 h ILE 25 Cb 0.64 1.20 -0.05 0.00 -0.74 0.00 0.00 36.82 37.88 2oq3 h ILE 25 CO 0.05 0.27 0.24 -0.78 0.00 0.00 0.00 178.15 177.92 2oq3 h ASP 26 N 0.31 0.32 0.26 1.72 3.58 -0.38 -0.23 116.42 122.00 2oq3 h ASP 26 Ca 0.09 0.04 -0.08 0.00 0.42 0.00 0.00 57.03 57.50 2oq3 h ASP 26 Cb 0.35 -0.02 -0.01 0.00 1.72 0.00 0.00 39.33 41.37 2oq3 h ASP 26 CO 0.01 0.22 -0.33 -0.26 -2.88 0.00 0.00 179.24 176.00 2oq3 h PHE 27 N 0.47 0.12 0.00 0.28 0.04 -0.47 0.28 116.94 117.66 2oq3 h PHE 27 Ca 0.23 -0.03 -0.01 0.00 2.80 0.00 0.00 57.97 60.97 2oq3 h PHE 27 Cb 0.17 -0.03 -0.00 0.00 2.20 0.00 0.00 35.95 38.29 2oq3 h PHE 27 CO -0.12 0.43 -0.04 0.77 -0.60 0.00 0.00 178.31 178.75 2oq3 h SER 28 N 0.10 0.00 0.00 2.17 0.02 0.26 -3.35 113.55 112.74 2oq3 h SER 28 Ca 0.01 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 2oq3 h SER 28 Cb 0.64 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.18 2oq3 h SER 28 CO 0.05 0.04 -0.83 0.23 -1.14 0.00 0.00 176.83 175.18 2oq3 n MET 29 N -3.30 1.12 -0.00 3.45 2.81 -0.75 -4.19 117.12 116.26 2oq3 n MET 29 Ca -0.02 0.00 0.03 0.00 -1.81 0.00 0.00 57.70 55.90 2oq3 n MET 29 Cb 0.20 -0.92 0.39 0.00 -0.71 0.00 0.00 33.22 32.18 2oq3 n MET 29 CO 0.00 0.00 0.00 -0.24 1.51 0.00 0.00 175.97 177.24 2oq3 h VAL 30 N 0.00 1.13 0.00 2.03 3.04 -0.61 0.07 116.25 121.92 2oq3 h VAL 30 Ca 0.00 -0.34 -0.02 0.00 -1.01 0.00 0.00 66.70 65.33 2oq3 h VAL 30 Cb 0.04 0.61 -0.00 0.00 -2.01 0.00 0.00 31.29 29.92 2oq3 h VAL 30 CO 0.00 0.14 -0.08 0.28 -1.01 0.00 0.00 177.57 176.91 2oq3 h SER 31 N 0.55 0.00 0.18 3.17 0.02 -1.84 0.11 113.55 115.73 2oq3 h SER 31 Ca 0.14 0.00 -0.33 0.00 -0.84 0.00 0.00 61.79 60.76 2oq3 h SER 31 Cb 0.03 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.58 2oq3 h SER 31 CO -0.02 0.08 -1.62 -0.07 -1.14 0.00 0.00 176.83 174.05 2oq3 h LEU 32 N 0.00 0.59 -0.93 5.07 3.38 -1.38 -3.36 115.31 118.68 2oq3 h LEU 32 Ca -0.00 -0.92 0.08 0.00 0.09 0.00 0.00 57.88 57.13 2oq3 h LEU 32 Cb 0.18 -0.19 -0.07 0.00 0.09 0.00 0.00 40.66 40.66 2oq3 h LEU 32 CO 0.01 1.73 0.58 0.25 0.09 0.00 0.00 178.44 181.11 2oq3 h LEU 33 N 0.01 0.90 -1.64 1.67 5.85 -0.25 0.60 115.31 122.45 2oq3 h LEU 33 Ca -0.32 0.03 -0.04 0.00 0.84 0.00 0.00 57.88 58.39 2oq3 h LEU 33 Cb 2.02 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 42.88 2oq3 h LEU 33 CO 0.16 0.55 -0.18 -0.78 -0.34 0.00 0.00 178.44 177.85 2oq3 h ASP 34 N 1.02 0.00 -0.34 1.25 3.58 -0.96 -0.50 116.42 120.47 2oq3 h ASP 34 Ca 0.42 0.00 -0.09 0.00 0.42 0.00 0.00 57.03 57.79 2oq3 h ASP 34 Cb 0.26 0.00 -0.05 0.00 1.72 0.00 0.00 39.33 41.26 2oq3 h ASP 34 CO -0.20 0.18 0.01 0.29 -2.88 0.00 0.00 179.24 176.64 2oq3 n LYS 35 N -3.66 2.58 -4.23 0.28 4.01 -1.09 -4.98 118.16 111.06 2oq3 n LYS 35 Ca -0.01 -2.97 -0.35 0.00 -0.51 0.00 0.00 58.31 54.47 2oq3 n LYS 35 Cb 0.30 -1.87 -0.04 0.00 -0.51 0.00 0.00 35.03 32.92 2oq3 n LYS 35 CO 0.00 0.00 0.00 0.27 -1.11 0.00 0.00 177.40 176.56 2oq3 n ASN 36 N -0.72 -2.08 0.23 4.39 0.23 -0.20 -4.85 115.26 112.26 2oq3 n ASN 36 Ca 0.27 -1.07 0.15 0.00 -0.53 0.00 0.00 54.58 53.41 2oq3 n ASN 36 Cb 0.99 -2.53 0.59 0.00 -2.08 0.00 0.00 39.78 36.75 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 -1.51 0.00 -4.15 -2.53 -1.99 -1.10 -3.41 116.97 102.29 2oq3 h TYR 37 Ca -0.61 0.00 -0.17 0.00 2.00 0.00 0.00 58.73 59.96 2oq3 h TYR 37 Cb 1.38 0.00 -0.12 0.00 2.00 0.00 0.00 36.73 40.00 2oq3 h TYR 37 CO 0.61 0.00 -0.36 0.96 -0.00 0.00 0.00 178.16 179.36 2oq3 s ILE 38 N -3.52 0.00 0.27 -2.88 -4.36 -1.25 -0.61 121.20 108.84 2oq3 s ILE 38 Ca 0.03 -1.71 0.08 0.00 -0.26 0.00 0.00 60.65 58.78 2oq3 s ILE 38 Cb 0.09 -2.38 -0.04 0.00 1.25 0.00 0.00 42.46 41.39 2oq3 s ILE 38 CO 0.51 0.00 0.18 -0.44 0.24 0.00 0.00 174.94 175.43 2oq3 s SER 39 N -3.11 5.27 0.47 4.36 0.01 0.07 -4.67 113.70 116.10 2oq3 s SER 39 Ca 0.31 -0.39 0.13 0.00 1.31 0.00 0.00 55.95 57.31 2oq3 s SER 39 Cb 0.03 -1.19 1.08 0.00 0.21 0.00 0.00 66.02 66.15 2oq3 s SER 39 CO 0.12 -0.10 2.07 -0.33 0.41 0.00 0.00 173.24 175.41 2oq3 h GLU 40 N 1.52 0.12 -0.73 12.44 5.08 -1.95 -1.71 114.58 129.34 2oq3 h GLU 40 Ca -0.47 -0.01 0.07 0.00 -1.00 0.00 0.00 59.36 57.95 2oq3 h GLU 40 Cb 1.24 -0.02 -0.05 0.00 0.50 0.00 0.00 28.75 30.42 2oq3 h GLU 40 CO 0.60 0.15 0.48 -0.97 -1.00 0.00 0.00 179.01 178.27 2oq3 h ASN 41 N 0.12 0.65 -0.54 1.42 -1.24 -1.93 -2.27 115.58 111.79 2oq3 h ASN 41 Ca 0.03 0.01 0.03 0.00 0.71 0.00 0.00 56.30 57.08 2oq3 h ASN 41 Cb 0.11 -0.13 -0.04 0.00 0.73 0.00 0.00 38.32 38.99 2oq3 h ASN 41 CO 0.00 0.41 0.31 0.22 -1.29 0.00 0.00 177.43 177.08 2oq3 h TYR 42 N 0.73 0.57 0.06 0.67 3.20 -1.05 0.53 116.97 121.69 2oq3 h TYR 42 Ca 0.32 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 62.21 2oq3 h TYR 42 Cb 0.32 -0.18 0.00 0.00 1.54 0.00 0.00 36.73 38.41 2oq3 h TYR 42 CO -0.00 0.31 -0.03 0.82 -1.64 0.00 0.00 178.16 177.61 2oq3 h ILE 43 N 0.60 1.00 0.00 1.81 2.04 -1.53 -2.99 117.51 118.44 2oq3 h ILE 43 Ca 0.23 -0.21 -0.06 0.00 1.00 0.00 0.00 64.86 65.82 2oq3 h ILE 43 Cb 0.07 1.13 -0.01 0.00 -0.74 0.00 0.00 36.82 37.28 2oq3 h ILE 43 CO -0.12 0.05 -0.27 -0.61 0.00 0.00 0.00 178.15 177.20 2oq3 h GLN 44 N -0.18 0.00 -0.57 2.37 5.75 -1.01 -2.14 115.11 119.34 2oq3 h GLN 44 Ca -0.01 0.00 0.04 0.00 -0.15 0.00 0.00 58.65 58.53 2oq3 h GLN 44 Cb 0.15 0.00 -0.04 0.00 1.07 0.00 0.00 27.48 28.66 2oq3 h GLN 44 CO 0.01 0.27 0.32 0.00 -2.65 0.00 0.00 178.83 176.79 2oq3 h ALA 45 N 1.73 0.74 -0.06 3.38 0.00 -0.76 0.86 119.26 125.14 2oq3 h ALA 45 Ca -0.00 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 2oq3 h ALA 45 Cb 0.62 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 2oq3 h ALA 45 CO 0.04 0.01 -0.05 0.82 0.00 0.00 0.00 179.25 180.07 2oq3 h ILE 46 N 0.62 1.36 -0.28 0.00 2.04 -1.38 -2.19 117.51 117.68 2oq3 h ILE 46 Ca 0.24 -1.15 0.02 0.00 1.00 0.00 0.00 64.86 64.97 2oq3 h ILE 46 Cb 0.10 1.99 -0.02 0.00 -0.74 0.00 0.00 36.82 38.15 2oq3 h ILE 46 CO -0.14 0.32 0.14 0.11 0.00 0.00 0.00 178.15 178.58 2oq3 h LYS 47 N -0.28 0.29 -0.46 2.37 1.57 -1.15 -0.12 116.57 118.79 2oq3 h LYS 47 Ca 0.01 -0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.74 2oq3 h LYS 47 Cb 0.53 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.76 2oq3 h LYS 47 CO 0.01 0.19 0.16 0.22 -0.57 0.00 0.00 179.45 179.46 2oq3 h ASP 48 N 0.30 0.66 -0.55 0.86 3.58 -0.86 -0.09 116.42 120.31 2oq3 h ASP 48 Ca 0.12 -0.19 -0.01 0.00 0.42 0.00 0.00 57.03 57.36 2oq3 h ASP 48 Cb 0.03 -0.17 -0.03 0.00 1.72 0.00 0.00 39.33 40.88 2oq3 h ASP 48 CO -0.08 0.68 0.32 0.28 -2.88 0.00 0.00 179.24 177.56 2oq3 h SER 49 N 0.60 0.68 -0.70 2.28 0.02 -1.15 -0.58 113.55 114.70 2oq3 h SER 49 Ca 0.15 -0.07 -0.01 0.00 -0.84 0.00 0.00 61.79 61.02 2oq3 h SER 49 Cb 0.25 -0.17 -0.03 0.00 0.14 0.00 0.00 62.40 62.58 2oq3 h SER 49 CO -0.01 0.56 0.41 0.74 -1.14 0.00 0.00 176.83 177.39 2oq3 h THR 50 N 0.75 1.20 -0.52 -2.27 2.02 -0.58 -1.22 112.91 112.30 2oq3 h THR 50 Ca 0.20 -0.47 -0.06 0.00 0.77 0.00 0.00 66.41 66.84 2oq3 h THR 50 Cb 0.01 0.25 -0.02 0.00 -1.74 0.00 0.00 68.15 66.66 2oq3 h THR 50 CO -0.03 0.22 0.08 0.40 0.37 0.00 0.00 175.52 176.55 2oq3 h ILE 51 N 0.95 1.25 -0.31 3.11 2.04 -0.75 -0.73 117.51 123.08 2oq3 h ILE 51 Ca 0.25 -0.96 -0.16 0.00 1.00 0.00 0.00 64.86 65.00 2oq3 h ILE 51 Cb -0.01 0.86 -0.01 0.00 -0.74 0.00 0.00 36.82 36.93 2oq3 h ILE 51 CO -0.04 0.34 -0.44 0.78 0.00 0.00 0.00 178.15 178.79 2oq3 h ASN 52 N 0.74 0.85 0.00 1.72 2.35 -0.48 -3.39 115.58 117.38 2oq3 h ASN 52 Ca 0.16 -0.41 0.00 0.00 -0.55 0.00 0.00 56.30 55.50 2oq3 h ASN 52 Cb 0.41 -0.24 0.00 0.00 0.05 0.00 0.00 38.32 38.54 2oq3 h ASN 52 CO 0.01 1.16 -0.11 -3.20 -1.65 0.00 0.00 177.43 173.65 2oq3 n ASN 53 N -4.03 0.00 0.00 5.81 5.15 -0.52 -5.09 115.26 116.58 2oq3 n ASN 53 Ca -0.03 -1.21 0.00 0.00 -0.60 0.00 0.00 54.58 52.74 2oq3 n ASN 53 Cb 0.56 -0.04 0.00 0.00 -0.53 0.00 0.00 39.78 39.77 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 0.00 -1.89 3.73 8.20 0.00 -0.28 -4.95 105.19 110.00 2oq3 n GLY 54 Ca 0.00 -1.51 -0.32 0.00 0.00 0.00 0.00 46.02 44.19 2oq3 n GLY 54 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2oq3 s PRO 55 N -2.16 1.96 -0.00 1.61 0.04 -1.26 -3.97 135.00 131.22 2oq3 s PRO 55 Ca 0.00 1.46 0.08 0.00 0.04 0.00 0.00 61.00 62.58 2oq3 s PRO 55 Cb 0.00 -1.84 -0.09 0.00 0.04 0.00 0.00 34.50 32.61 2oq3 s PRO 55 CO 0.00 -1.91 0.32 0.66 0.04 0.00 0.00 177.00 176.11 2oq3 n TYR 56 N -3.35 0.00 -3.43 0.56 4.02 -1.26 -4.83 117.16 108.87 2oq3 n TYR 56 Ca 0.11 0.00 -0.27 0.00 -0.01 0.00 0.00 57.90 57.73 2oq3 n TYR 56 Cb 0.52 -0.02 -0.10 0.00 -0.02 0.00 0.00 39.34 39.72 2oq3 n TYR 56 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 2oq3 n TYR 57 N -1.26 -0.11 -4.91 -0.72 4.01 -1.26 -5.07 117.16 107.84 2oq3 n TYR 57 Ca 0.01 -3.51 -0.27 0.00 -0.16 0.00 0.00 57.90 53.97 2oq3 n TYR 57 Cb 0.14 0.01 -0.15 0.00 -0.31 0.00 0.00 39.34 39.03 2oq3 n TYR 57 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 2oq3 s ILE 58 N -0.45 1.65 0.00 -0.72 -1.09 -1.26 -0.63 121.20 118.70 2oq3 s ILE 58 Ca 0.32 -0.99 0.00 0.00 -2.23 0.00 0.00 60.65 57.76 2oq3 s ILE 58 Cb 0.05 -1.39 0.00 0.00 -1.58 0.00 0.00 42.46 39.54 2oq3 s ILE 58 CO -0.17 0.39 0.00 0.18 -1.23 0.00 0.00 174.94 174.10 2oq3 n LEU 59 N 2.34 0.00 -3.47 2.97 4.32 -0.67 -4.96 117.00 117.55 2oq3 n LEU 59 Ca -0.16 0.00 -0.11 0.00 -0.02 0.00 0.00 56.01 55.72 2oq3 n LEU 59 Cb 0.53 0.00 -0.02 0.00 -1.62 0.00 0.00 43.42 42.31 2oq3 n LEU 59 CO 0.23 0.00 0.41 0.00 -1.22 0.00 0.00 177.39 176.82 2oq3 s ALA 60 N -1.40 -1.57 -0.17 -1.18 0.00 -1.21 -5.03 121.76 111.21 2oq3 s ALA 60 Ca 0.00 0.42 -0.32 0.00 0.00 0.00 0.00 51.96 52.06 2oq3 s ALA 60 Cb 0.00 0.88 -0.09 0.00 0.00 0.00 0.00 23.12 23.91 2oq3 s ALA 60 CO 0.00 -0.80 2.08 -0.35 0.00 0.00 0.00 175.76 176.69 2oq3 n PRO 61 N -0.39 1.99 0.00 0.00 -0.04 -1.26 -1.15 135.00 134.15 2oq3 n PRO 61 Ca -0.16 0.64 0.00 0.00 -0.04 0.00 0.00 63.50 63.95 2oq3 n PRO 61 Cb 0.64 -2.88 0.00 0.00 -0.04 0.00 0.00 33.50 31.23 2oq3 n PRO 61 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2oq3 n GLY 62 N 5.34 0.26 3.00 0.55 0.00 -1.22 -5.02 105.19 108.11 2oq3 n GLY 62 Ca 0.29 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.06 2oq3 n GLY 62 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2oq3 s VAL 63 N -2.00 1.08 0.25 1.61 1.01 -0.30 -1.27 120.40 120.78 2oq3 s VAL 63 Ca 0.00 -0.43 0.03 0.00 0.00 0.00 0.00 61.98 61.58 2oq3 s VAL 63 Cb 0.00 -1.01 -0.05 0.00 0.00 0.00 0.00 36.38 35.32 2oq3 s VAL 63 CO 0.00 0.35 0.03 0.00 0.00 0.00 0.00 175.10 175.48 2oq3 s ALA 64 N 0.83 1.86 -0.36 5.51 0.00 0.23 -1.66 121.76 128.17 2oq3 s ALA 64 Ca -0.12 -1.83 0.14 0.00 0.00 0.00 0.00 51.96 50.15 2oq3 s ALA 64 Cb -0.15 0.66 0.38 0.00 0.00 0.00 0.00 23.12 24.01 2oq3 s ALA 64 CO 0.02 -0.32 0.79 -0.12 0.00 0.00 0.00 175.76 176.13 2oq3 n MET 65 N -0.47 1.03 -1.52 0.00 0.00 0.20 -1.67 117.12 114.69 2oq3 n MET 65 Ca -0.03 -3.35 -0.48 0.00 0.00 0.00 0.00 57.70 53.84 2oq3 n MET 65 Cb 0.65 -1.58 -0.03 0.00 0.00 0.00 0.00 33.22 32.26 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 0.18 0.79 0.00 2.12 -0.02 -0.78 -4.78 135.00 132.51 2oq3 n PRO 66 Ca 0.20 0.28 0.00 0.00 -2.02 0.00 0.00 63.50 61.96 2oq3 n PRO 66 Cb 0.71 -1.57 0.00 0.00 -0.02 0.00 0.00 33.50 32.62 2oq3 n PRO 66 CO 0.00 0.00 0.00 1.58 1.98 0.00 0.00 175.50 179.06 2oq3 n HIS 67 N 0.53 0.00 -4.23 6.00 -0.00 -1.26 -2.59 115.22 113.67 2oq3 n HIS 67 Ca 0.14 0.00 -0.13 0.00 -0.00 0.00 0.00 57.72 57.73 2oq3 n HIS 67 Cb 0.27 0.00 -0.10 0.00 -0.00 0.00 0.00 29.99 30.15 2oq3 n HIS 67 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2oq3 s ALA 68 N -2.00 1.30 0.61 1.57 0.00 -1.26 -4.85 121.76 117.13 2oq3 s ALA 68 Ca 0.00 -1.49 -0.19 0.00 0.00 0.00 0.00 51.96 50.29 2oq3 s ALA 68 Cb 0.00 0.23 -0.04 0.00 0.00 0.00 0.00 23.12 23.31 2oq3 s ALA 68 CO 0.00 -0.21 1.08 0.54 0.00 0.00 0.00 175.76 177.17 2oq3 n ARG 69 N -0.17 1.02 -0.33 0.00 5.12 -1.26 -4.86 116.66 116.18 2oq3 n ARG 69 Ca -0.10 0.39 0.17 0.00 -1.93 0.00 0.00 57.85 56.39 2oq3 n ARG 69 Cb 0.61 -2.29 0.37 0.00 -1.16 0.00 0.00 32.46 30.00 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 0.58 0.46 0.00 5.56 0.11 -1.94 -0.11 132.00 136.66 2oq3 h PRO 70 Ca -0.49 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.59 2oq3 h PRO 70 Cb 1.35 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.36 2oq3 h PRO 70 CO 0.52 0.31 0.00 0.93 -0.21 0.00 0.00 178.00 179.54 2oq3 h GLU 71 N 0.48 0.00 0.00 1.05 4.39 -1.89 -0.10 114.58 118.51 2oq3 h GLU 71 Ca 0.63 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.33 2oq3 h GLU 71 Cb 1.23 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.88 2oq3 h GLU 71 CO -0.52 0.00 0.00 0.00 -1.16 0.00 0.00 179.01 177.33 2oq3 n GLY 73 N 1.08 1.10 3.77 0.00 0.00 -0.88 -2.60 105.19 107.66 2oq3 n GLY 73 Ca 0.20 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.87 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 -1.10 2.77 0.00 4.61 0.00 -0.10 -0.75 121.76 127.18 2oq3 s ALA 74 Ca 0.00 0.87 0.00 0.00 0.00 0.00 0.00 51.96 52.83 2oq3 s ALA 74 Cb 0.00 -3.37 0.00 0.00 0.00 0.00 0.00 23.12 19.75 2oq3 s ALA 74 CO 0.00 -0.76 0.00 1.28 0.00 0.00 0.00 175.76 176.28 2oq3 n LEU 75 N -1.07 0.58 -3.87 0.00 4.77 0.22 -4.84 117.00 112.78 2oq3 n LEU 75 Ca 0.10 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.98 2oq3 n LEU 75 Cb 0.50 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.50 2oq3 n LEU 75 CO 0.44 0.10 -0.14 -0.54 -1.33 0.00 0.00 177.39 175.92 2oq3 s LYS 76 N -1.52 0.63 -0.11 3.23 1.02 -0.39 -4.73 119.74 117.86 2oq3 s LYS 76 Ca 0.00 -0.61 -0.25 0.00 0.02 0.00 0.00 55.97 55.13 2oq3 s LYS 76 Cb 0.00 0.26 -0.02 0.00 -0.52 0.00 0.00 37.83 37.54 2oq3 s LYS 76 CO 0.00 -0.17 0.80 0.99 -0.92 0.00 0.00 175.35 176.05 2oq3 s THR 77 N -2.34 4.94 0.15 2.17 2.01 -1.26 -3.90 115.64 117.41 2oq3 s THR 77 Ca -0.07 1.60 -0.23 0.00 0.31 0.00 0.00 61.69 63.30 2oq3 s THR 77 Cb -0.02 -4.12 0.08 0.00 0.01 0.00 0.00 72.50 68.45 2oq3 s THR 77 CO -0.03 0.12 1.09 -0.83 -0.69 0.00 0.00 174.62 174.28 2oq3 s GLY 78 N 1.02 0.09 0.21 4.40 0.00 -0.14 -4.95 107.32 107.95 2oq3 s GLY 78 Ca 0.39 -0.31 -0.09 0.00 0.00 0.00 0.00 44.72 44.72 2oq3 s GLY 78 CO 0.16 3.28 0.34 1.06 0.00 0.00 0.00 173.10 177.94 2oq3 s MET 79 N -2.08 1.35 0.13 2.90 -1.94 0.50 -0.70 119.30 119.46 2oq3 s MET 79 Ca 0.24 -1.31 -0.00 0.00 -1.71 0.00 0.00 55.69 52.91 2oq3 s MET 79 Cb -0.02 0.40 -0.04 0.00 2.01 0.00 0.00 34.83 37.17 2oq3 s MET 79 CO 0.04 -0.52 0.03 -1.12 -0.01 0.00 0.00 175.02 173.44 2oq3 s SER 80 N -3.03 0.58 -0.28 3.03 0.01 -0.11 -4.43 113.70 109.45 2oq3 s SER 80 Ca 0.24 -1.16 -0.01 0.00 1.31 0.00 0.00 55.95 56.33 2oq3 s SER 80 Cb 0.02 0.23 0.13 0.00 0.21 0.00 0.00 66.02 66.62 2oq3 s SER 80 CO 0.07 -0.66 0.28 -0.22 0.41 0.00 0.00 173.24 173.12 2oq3 s LEU 81 N -3.06 -0.20 -0.07 2.44 2.96 0.76 -0.60 118.68 120.91 2oq3 s LEU 81 Ca 0.21 -0.73 0.04 0.00 -0.22 0.00 0.00 54.13 53.44 2oq3 s LEU 81 Cb 0.07 0.47 -0.02 0.00 0.50 0.00 0.00 46.19 47.22 2oq3 s LEU 81 CO 0.00 -0.39 -0.20 -0.89 -1.32 0.00 0.00 176.35 173.56 2oq3 s THR 82 N 2.35 2.52 -0.02 3.68 2.01 -0.14 -1.12 115.64 124.91 2oq3 s THR 82 Ca 0.09 -0.89 0.06 0.00 0.31 0.00 0.00 61.69 61.26 2oq3 s THR 82 Cb -0.14 -1.97 -0.01 0.00 0.01 0.00 0.00 72.50 70.39 2oq3 s THR 82 CO -0.31 0.57 -0.19 -0.22 -0.69 0.00 0.00 174.62 173.77 2oq3 s LEU 83 N -0.18 2.02 -0.14 4.42 2.96 -0.27 -0.68 118.68 126.81 2oq3 s LEU 83 Ca -0.02 -0.36 0.02 0.00 -0.22 0.00 0.00 54.13 53.55 2oq3 s LEU 83 Cb -0.14 -1.01 0.00 0.00 0.50 0.00 0.00 46.19 45.55 2oq3 s LEU 83 CO 0.03 0.23 -0.19 -0.76 -1.32 0.00 0.00 176.35 174.34 2oq3 s LEU 84 N -0.38 2.28 0.19 -0.68 1.02 0.44 -0.59 118.68 120.96 2oq3 s LEU 84 Ca 0.06 -0.53 -0.01 0.00 0.02 0.00 0.00 54.13 53.66 2oq3 s LEU 84 Cb -0.08 -1.49 0.11 0.00 0.02 0.00 0.00 46.19 44.75 2oq3 s LEU 84 CO -0.00 0.10 1.48 -0.33 0.02 0.00 0.00 176.35 177.62 2oq3 h GLU 85 N 7.16 0.45 0.00 1.70 4.39 -0.69 -2.65 114.58 124.94 2oq3 h GLU 85 Ca -0.30 -0.32 -0.00 0.00 0.34 0.00 0.00 59.36 59.09 2oq3 h GLU 85 Cb 1.20 0.05 -0.00 0.00 -0.10 0.00 0.00 28.75 29.90 2oq3 h GLU 85 CO 0.54 0.93 -0.12 1.96 -1.16 0.00 0.00 179.01 181.17 2oq3 h GLN 86 N 0.33 0.00 0.00 2.33 1.08 -1.10 -3.50 115.11 114.25 2oq3 h GLN 86 Ca -0.01 0.00 0.13 0.00 -1.45 0.00 0.00 58.65 57.32 2oq3 h GLN 86 Cb 1.18 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 28.58 2oq3 h GLN 86 CO 0.11 0.01 -0.18 0.41 -0.95 0.00 0.00 178.83 178.23 2oq3 n GLY 87 N 1.11 -1.57 3.32 3.46 0.00 -1.00 -4.96 105.19 105.54 2oq3 n GLY 87 Ca 0.04 -1.17 -0.10 0.00 0.00 0.00 0.00 46.02 44.79 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 -0.86 0.07 -0.40 1.61 0.11 -0.50 -4.57 120.40 115.85 2oq3 s VAL 88 Ca 0.00 -1.45 0.02 0.00 -2.93 0.00 0.00 61.98 57.62 2oq3 s VAL 88 Cb 0.00 -1.88 0.12 0.00 -1.53 0.00 0.00 36.38 33.09 2oq3 s VAL 88 CO 0.00 -0.31 0.17 -0.47 -3.33 0.00 0.00 175.10 171.16 2oq3 s TYR 89 N -3.98 2.46 0.45 1.54 6.14 -1.26 -0.71 117.35 121.98 2oq3 s TYR 89 Ca 0.18 -2.50 -0.22 0.00 0.64 0.00 0.00 57.07 55.18 2oq3 s TYR 89 Cb 0.04 -2.20 -0.12 0.00 0.42 0.00 0.00 41.96 40.10 2oq3 s TYR 89 CO 0.00 -0.83 0.57 1.19 0.64 0.00 0.00 175.55 177.12 2oq3 n PHE 90 N 3.92 -0.43 0.26 4.97 3.72 -1.26 -4.85 117.46 123.79 2oq3 n PHE 90 Ca 0.04 0.57 0.03 0.00 -0.05 0.00 0.00 57.45 58.04 2oq3 n PHE 90 Cb 0.37 -2.00 0.14 0.00 -0.94 0.00 0.00 39.48 37.05 2oq3 n PHE 90 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 2oq3 n PRO 91 N 0.47 0.08 -0.71 -1.08 -0.04 -1.26 -2.90 135.00 129.56 2oq3 n PRO 91 Ca 0.11 0.22 -0.01 0.00 -0.04 0.00 0.00 63.50 63.78 2oq3 n PRO 91 Cb 0.41 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.36 2oq3 n PRO 91 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2oq3 n GLY 92 N -0.82 0.77 3.93 0.55 0.00 -1.26 -4.92 105.19 103.44 2oq3 n GLY 92 Ca 0.03 -0.10 -0.26 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.68 4.56 0.13 1.61 2.47 -1.14 -4.72 114.94 117.16 2oq3 s ASN 93 Ca 0.04 0.37 -0.14 0.00 0.42 0.00 0.00 52.86 53.55 2oq3 s ASN 93 Cb 0.04 -0.92 -0.03 0.00 -1.45 0.00 0.00 41.25 38.90 2oq3 s ASN 93 CO -0.02 -1.77 1.53 -0.78 -3.72 0.00 0.00 177.10 172.35 2oq3 h ASP 94 N -0.73 0.77 -5.10 -4.21 3.58 -2.00 -3.48 116.42 105.24 2oq3 h ASP 94 Ca -0.44 -0.36 0.02 0.00 0.42 0.00 0.00 57.03 56.67 2oq3 h ASP 94 Cb 1.30 -0.21 -0.07 0.00 1.72 0.00 0.00 39.33 42.08 2oq3 h ASP 94 CO 0.56 0.95 0.08 -1.83 -2.88 0.00 0.00 179.24 176.12 2oq3 s GLU 95 N -4.80 1.69 0.82 0.28 -1.05 -1.26 -5.17 118.70 109.21 2oq3 s GLU 95 Ca -0.13 -1.11 -0.12 0.00 -0.15 0.00 0.00 54.97 53.47 2oq3 s GLU 95 Cb 0.10 0.55 0.09 0.00 -0.44 0.00 0.00 34.13 34.44 2oq3 s GLU 95 CO 0.81 -0.75 1.15 -1.25 0.95 0.00 0.00 175.26 176.18 2oq3 s PRO 96 N -3.95 1.63 -0.10 -4.83 0.04 -1.26 -4.75 135.00 121.79 2oq3 s PRO 96 Ca 0.16 1.54 0.03 0.00 0.04 0.00 0.00 61.00 62.77 2oq3 s PRO 96 Cb -0.04 -1.80 -0.01 0.00 0.04 0.00 0.00 34.50 32.69 2oq3 s PRO 96 CO 0.08 -2.17 -0.18 0.42 0.04 0.00 0.00 177.00 175.18 2oq3 s ILE 97 N -2.48 2.59 -0.21 0.56 -1.09 0.11 -3.43 121.20 117.25 2oq3 s ILE 97 Ca 0.68 -0.84 0.08 0.00 -2.23 0.00 0.00 60.65 58.34 2oq3 s ILE 97 Cb -0.24 -2.03 -0.21 0.00 -1.58 0.00 0.00 42.46 38.40 2oq3 s ILE 97 CO 0.53 0.55 -0.01 0.29 -1.23 0.00 0.00 174.94 175.07 2oq3 n LYS 98 N 3.24 0.67 -4.88 2.79 5.02 -0.40 -1.41 118.16 123.19 2oq3 n LYS 98 Ca -0.18 0.11 -0.33 0.00 -2.02 0.00 0.00 58.31 55.89 2oq3 n LYS 98 Cb 0.53 -1.55 -0.15 0.00 -0.02 0.00 0.00 35.03 33.83 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 -6.13 2.57 -0.26 -0.35 1.98 -0.57 -0.42 118.68 115.49 2oq3 s LEU 99 Ca -0.22 -0.38 -0.01 0.00 -2.89 0.00 0.00 54.13 50.62 2oq3 s LEU 99 Cb 0.08 -1.56 0.08 0.00 0.66 0.00 0.00 46.19 45.44 2oq3 s LEU 99 CO 0.72 0.16 0.05 -0.76 -1.89 0.00 0.00 176.35 174.63 2oq3 s LEU 100 N 0.35 2.04 0.21 -0.68 1.02 0.14 -0.60 118.68 121.16 2oq3 s LEU 100 Ca -0.13 -1.33 -0.30 0.00 0.02 0.00 0.00 54.13 52.40 2oq3 s LEU 100 Cb -0.16 -0.86 -0.08 0.00 0.02 0.00 0.00 46.19 45.11 2oq3 s LEU 100 CO 0.06 -0.35 0.93 -0.63 0.02 0.00 0.00 176.35 176.39 2oq3 s ILE 101 N 1.63 4.17 0.05 -0.59 1.01 -0.67 -0.97 121.20 125.84 2oq3 s ILE 101 Ca 0.04 2.06 -0.01 0.00 0.00 0.00 0.00 60.65 62.74 2oq3 s ILE 101 Cb -0.17 -4.32 -0.04 0.00 0.01 0.00 0.00 42.46 37.94 2oq3 s ILE 101 CO -0.16 0.47 0.22 -0.83 0.00 0.00 0.00 174.94 174.64 2oq3 s GLY 102 N -0.95 2.19 -0.08 6.18 0.00 0.23 -1.87 107.32 113.02 2oq3 s GLY 102 Ca 0.42 -0.78 -0.07 0.00 0.00 0.00 0.00 44.72 44.29 2oq3 s GLY 102 CO 0.31 -0.73 0.21 -2.27 0.00 0.00 0.00 173.10 170.63 2oq3 s LEU 103 N -2.36 1.03 0.05 0.66 0.20 -1.07 -0.93 118.68 116.25 2oq3 s LEU 103 Ca 0.34 0.43 0.04 0.00 0.69 0.00 0.00 54.13 55.62 2oq3 s LEU 103 Cb -0.13 0.69 -0.02 0.00 -0.43 0.00 0.00 46.19 46.30 2oq3 s LEU 103 CO 0.25 -0.09 -0.12 -0.94 -0.29 0.00 0.00 176.35 175.16 2oq3 s SER 104 N 0.39 1.40 -0.12 3.68 1.04 0.13 -4.41 113.70 115.80 2oq3 s SER 104 Ca -0.02 -0.49 -0.08 0.00 0.48 0.00 0.00 55.95 55.84 2oq3 s SER 104 Cb -0.04 -0.05 0.04 0.00 0.10 0.00 0.00 66.02 66.07 2oq3 s SER 104 CO -0.02 -0.05 0.29 0.00 0.98 0.00 0.00 173.24 174.45 2oq3 s ALA 105 N -1.03 -0.71 -0.34 5.32 0.00 -1.25 -0.97 121.76 122.78 2oq3 s ALA 105 Ca -0.02 1.03 0.27 0.00 0.00 0.00 0.00 51.96 53.24 2oq3 s ALA 105 Cb -0.08 -0.63 0.78 0.00 0.00 0.00 0.00 23.12 23.19 2oq3 s ALA 105 CO 0.01 -0.19 1.76 0.00 0.00 0.00 0.00 175.76 177.34 2oq3 h ALA 106 N 6.64 1.00 -2.65 0.00 0.00 -1.85 -3.39 119.26 119.02 2oq3 h ALA 106 Ca -0.35 0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.43 2oq3 h ALA 106 Cb 1.17 0.00 -0.18 0.00 0.00 0.00 0.00 17.79 18.78 2oq3 h ALA 106 CO 0.34 0.00 -0.50 0.34 0.00 0.00 0.00 179.25 179.43 2oq3 s ASP 107 N -5.56 0.12 0.38 0.00 2.15 -1.26 -4.97 116.67 107.53 2oq3 s ASP 107 Ca 0.06 -0.43 0.04 0.00 0.43 0.00 0.00 52.55 52.66 2oq3 s ASP 107 Cb 0.08 0.22 0.73 0.00 -0.30 0.00 0.00 42.92 43.66 2oq3 s ASP 107 CO 0.59 -0.47 2.03 0.00 -0.17 0.00 0.00 175.17 177.15 2oq3 h ALA 108 N 3.83 1.61 -0.01 3.66 0.00 -1.99 -0.49 119.26 125.86 2oq3 h ALA 108 Ca -0.32 -0.04 -0.16 0.00 0.00 0.00 0.00 54.91 54.38 2oq3 h ALA 108 Cb 1.19 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.75 2oq3 h ALA 108 CO 0.47 0.36 -0.74 0.22 0.00 0.00 0.00 179.25 179.55 2oq3 h ASP 109 N 0.71 0.11 -0.64 0.00 3.58 -1.98 -0.79 116.42 117.41 2oq3 h ASP 109 Ca 0.19 -0.08 -0.07 0.00 0.42 0.00 0.00 57.03 57.50 2oq3 h ASP 109 Cb -0.07 -0.03 -0.03 0.00 1.72 0.00 0.00 39.33 40.92 2oq3 h ASP 109 CO -0.04 0.81 0.14 0.28 -2.88 0.00 0.00 179.24 177.55 2oq3 h SER 110 N 0.05 1.00 -0.08 2.28 0.02 -1.78 -0.29 113.55 114.76 2oq3 h SER 110 Ca -0.02 -0.22 0.01 0.00 -0.84 0.00 0.00 61.79 60.73 2oq3 h SER 110 Cb 1.31 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 63.57 2oq3 h SER 110 CO 0.10 0.98 -0.02 -0.74 -1.14 0.00 0.00 176.83 176.02 2oq3 h HIS 111 N 1.00 -0.03 -0.07 3.45 -0.00 -0.81 -1.31 115.15 117.37 2oq3 h HIS 111 Ca 0.21 0.01 0.03 0.00 -0.00 0.00 0.00 60.37 60.62 2oq3 h HIS 111 Cb 0.38 0.03 -0.04 0.00 -0.00 0.00 0.00 27.41 27.78 2oq3 h HIS 111 CO 0.03 -0.03 -0.16 0.82 -0.00 0.00 0.00 177.93 178.59 2oq3 h ILE 112 N 0.00 0.60 -0.86 6.26 1.08 -0.80 0.47 117.51 124.27 2oq3 h ILE 112 Ca 0.04 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.50 2oq3 h ILE 112 Cb 0.05 0.60 -0.04 0.00 -3.07 0.00 0.00 36.82 34.36 2oq3 h ILE 112 CO -0.07 0.00 0.51 1.23 -0.69 0.00 0.00 178.15 179.13 2oq3 h GLY 113 N -0.22 1.24 0.79 5.37 0.00 -0.90 0.35 103.07 109.71 2oq3 h GLY 113 Ca 0.07 -0.52 -0.04 0.00 0.00 0.00 0.00 47.33 46.84 2oq3 h GLY 113 CO -0.20 0.51 -0.04 0.00 0.00 0.00 0.00 176.54 176.81 2oq3 h ALA 114 N 1.28 0.26 -0.41 3.60 0.00 -0.87 -2.24 119.26 120.87 2oq3 h ALA 114 Ca 0.31 -0.24 0.03 0.00 0.00 0.00 0.00 54.91 55.01 2oq3 h ALA 114 Cb -0.04 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.65 2oq3 h ALA 114 CO -0.06 0.02 0.20 0.82 0.00 0.00 0.00 179.25 180.23 2oq3 h ILE 115 N 0.07 0.96 0.00 0.00 1.08 -0.63 0.09 117.51 119.08 2oq3 h ILE 115 Ca 0.05 -0.14 0.00 0.00 -0.39 0.00 0.00 64.86 64.38 2oq3 h ILE 115 Cb 0.47 0.53 0.00 0.00 -3.07 0.00 0.00 36.82 34.75 2oq3 h ILE 115 CO 0.02 0.07 0.00 0.00 -0.69 0.00 0.00 178.15 177.55 2oq3 n GLN 116 N -4.93 0.19 -0.08 2.37 1.13 0.09 -0.74 117.38 115.42 2oq3 n GLN 116 Ca 0.02 0.47 -0.22 0.00 -1.94 0.00 0.00 57.00 55.33 2oq3 n GLN 116 Cb 0.11 -1.91 -0.12 0.00 0.11 0.00 0.00 30.24 28.43 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 -1.79 0.82 0.21 -1.58 0.00 -0.71 -4.26 120.51 113.19 2oq3 n ALA 117 Ca 0.01 -0.52 0.07 0.00 0.00 0.00 0.00 53.44 53.00 2oq3 n ALA 117 Cb 0.20 -0.58 0.42 0.00 0.00 0.00 0.00 19.45 19.48 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 -0.72 0.00 -2.69 0.00 8.10 -0.66 -1.30 115.31 118.03 2oq3 h LEU 118 Ca -0.38 0.00 -0.00 0.00 0.11 0.00 0.00 57.88 57.61 2oq3 h LEU 118 Cb 1.50 0.00 -0.00 0.00 -0.44 0.00 0.00 40.66 41.72 2oq3 h LEU 118 CO -0.14 0.31 -0.01 0.28 -4.11 0.00 0.00 178.44 174.77 2oq3 h SER 119 N 0.00 0.00 0.58 0.17 0.02 -1.12 0.18 113.55 113.38 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 0.77 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.31 2oq3 h SER 119 CO 0.04 0.01 0.00 -0.33 -1.14 0.00 0.00 176.83 175.41 2oq3 h GLU 120 N 0.00 0.00 0.00 3.45 4.39 -1.41 -2.04 114.58 118.97 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 0.04 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.69 2oq3 h GLU 120 CO 0.00 0.00 -0.58 1.28 -1.16 0.00 0.00 179.01 178.55 2oq3 n LEU 121 N -2.63 1.39 0.08 1.33 4.77 0.15 -4.51 117.00 117.58 2oq3 n LEU 121 Ca 0.00 0.22 0.09 0.00 -0.03 0.00 0.00 56.01 56.30 2oq3 n LEU 121 Cb 0.19 -0.58 0.41 0.00 -2.33 0.00 0.00 43.42 41.11 2oq3 n LEU 121 CO 0.20 -0.43 0.79 0.18 -1.33 0.00 0.00 177.39 176.81 2oq3 n LEU 122 N -3.87 0.39 -0.68 2.23 4.77 0.41 -2.09 117.00 118.15 2oq3 n LEU 122 Ca -0.08 0.60 0.04 0.00 -0.03 0.00 0.00 56.01 56.54 2oq3 n LEU 122 Cb 0.30 -0.56 0.20 0.00 -2.33 0.00 0.00 43.42 41.04 2oq3 n LEU 122 CO 0.12 -0.47 0.45 0.00 -1.33 0.00 0.00 177.39 176.17 2oq3 s GLU 124 N -3.21 0.73 0.59 0.00 0.41 -0.89 -4.95 118.70 111.38 2oq3 s GLU 124 Ca 0.39 -1.10 0.29 0.00 -0.41 0.00 0.00 54.97 54.14 2oq3 s GLU 124 Cb 0.37 -2.00 1.69 0.00 -1.78 0.00 0.00 34.13 32.41 2oq3 s GLU 124 CO -0.05 -0.99 2.13 1.05 -0.49 0.00 0.00 175.26 176.91 2oq3 h GLU 125 N 8.05 0.00 -0.09 1.61 4.11 -1.90 0.01 114.58 126.37 2oq3 h GLU 125 Ca -0.13 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.30 2oq3 h GLU 125 Cb 1.01 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.26 2oq3 h GLU 125 CO 0.47 0.00 0.04 0.93 0.07 0.00 0.00 179.01 180.52 2oq3 h GLU 126 N 0.00 0.12 -0.46 1.06 4.39 -1.95 -2.97 114.58 114.78 2oq3 h GLU 126 Ca 0.07 -0.02 -0.11 0.00 0.34 0.00 0.00 59.36 59.64 2oq3 h GLU 126 Cb 0.38 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.00 2oq3 h GLU 126 CO -0.00 0.22 -0.14 0.82 -1.16 0.00 0.00 179.01 178.75 2oq3 h ILE 127 N 0.00 1.27 -0.77 3.13 5.03 -1.36 -3.29 117.51 121.53 2oq3 h ILE 127 Ca 0.03 -1.27 0.11 0.00 -0.12 0.00 0.00 64.86 63.61 2oq3 h ILE 127 Cb 0.14 1.14 -0.08 0.00 -3.03 0.00 0.00 36.82 34.98 2oq3 h ILE 127 CO -0.00 0.43 0.39 -0.07 -0.68 0.00 0.00 178.15 178.22 2oq3 h LEU 128 N 0.74 0.50 -0.87 1.44 3.38 -0.94 0.55 115.31 120.11 2oq3 h LEU 128 Ca 0.11 0.07 -0.12 0.00 0.09 0.00 0.00 57.88 58.04 2oq3 h LEU 128 Cb 0.69 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.41 2oq3 h LEU 128 CO 0.05 0.26 -0.47 1.05 0.09 0.00 0.00 178.44 179.42 2oq3 h GLU 129 N 0.63 0.22 -0.20 1.13 4.11 -1.61 0.07 114.58 118.93 2oq3 h GLU 129 Ca 0.39 -0.12 -0.16 0.00 0.07 0.00 0.00 59.36 59.54 2oq3 h GLU 129 Cb 0.45 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.70 2oq3 h GLU 129 CO -0.30 0.65 -0.54 1.96 0.07 0.00 0.00 179.01 180.85 2oq3 h GLN 130 N 0.18 0.60 0.50 1.06 4.20 -1.03 -1.63 115.11 118.98 2oq3 h GLN 130 Ca 0.01 -0.37 -0.02 0.00 0.06 0.00 0.00 58.65 58.32 2oq3 h GLN 130 Cb 0.90 0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.73 2oq3 h GLN 130 CO 0.07 0.99 -0.24 -0.07 -0.67 0.00 0.00 178.83 178.91 2oq3 h LEU 131 N 0.46 -0.57 0.00 1.46 3.38 -0.92 -2.52 115.31 116.60 2oq3 h LEU 131 Ca 0.01 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.95 2oq3 h LEU 131 Cb 1.09 0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.99 2oq3 h LEU 131 CO 0.11 -0.33 0.00 0.18 0.09 0.00 0.00 178.44 178.49 2oq3 n LEU 132 N -5.34 0.00 0.00 1.67 4.77 -0.01 -1.36 117.00 116.73 2oq3 n LEU 132 Ca -0.12 0.47 0.00 0.00 -0.03 0.00 0.00 56.01 56.33 2oq3 n LEU 132 Cb 0.30 -0.47 0.00 0.00 -2.33 0.00 0.00 43.42 40.92 2oq3 n LEU 132 CO 0.35 -0.41 0.35 0.35 -1.33 0.00 0.00 177.39 176.69 2oq3 n THR 133 N -1.47 0.44 -1.64 -5.08 -2.24 -0.64 -5.04 114.28 98.60 2oq3 n THR 133 Ca 0.01 -0.68 -0.43 0.00 -2.27 0.00 0.00 64.05 60.69 2oq3 n THR 133 Cb 0.04 0.83 -0.03 0.00 -2.10 0.00 0.00 70.33 69.07 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 -0.44 2.98 -0.07 6.98 0.00 -0.47 -4.86 121.76 125.88 2oq3 s ALA 134 Ca 0.00 0.92 0.24 0.00 0.00 0.00 0.00 51.96 53.11 2oq3 s ALA 134 Cb 0.00 -4.01 0.68 0.00 0.00 0.00 0.00 23.12 19.79 2oq3 s ALA 134 CO 0.00 -2.43 1.72 0.77 0.00 0.00 0.00 175.76 175.82 2oq3 h SER 135 N 13.67 0.00 -5.08 0.00 0.02 -1.90 -3.47 113.55 116.80 2oq3 h SER 135 Ca -0.43 0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 60.41 2oq3 h SER 135 Cb 1.24 0.00 -0.17 0.00 0.14 0.00 0.00 62.40 63.61 2oq3 h SER 135 CO 0.96 0.19 -0.37 -0.44 -1.14 0.00 0.00 176.83 176.02 2oq3 s SER 136 N -6.16 0.02 0.43 3.07 0.01 -1.26 -5.05 113.70 104.76 2oq3 s SER 136 Ca 0.03 -0.38 0.11 0.00 1.31 0.00 0.00 55.95 57.01 2oq3 s SER 136 Cb 0.08 0.30 0.93 0.00 0.21 0.00 0.00 66.02 67.55 2oq3 s SER 136 CO 0.65 -0.59 2.01 -0.33 0.41 0.00 0.00 173.24 175.40 2oq3 h GLU 137 N 3.34 0.24 -0.74 12.44 5.08 -1.91 -1.19 114.58 131.83 2oq3 h GLU 137 Ca -0.32 -0.03 0.06 0.00 -1.00 0.00 0.00 59.36 58.07 2oq3 h GLU 137 Cb 1.19 -0.04 -0.05 0.00 0.50 0.00 0.00 28.75 30.35 2oq3 h GLU 137 CO 0.49 0.27 0.49 -0.22 -1.00 0.00 0.00 179.01 179.03 2oq3 h LYS 138 N 0.24 0.76 -0.40 2.33 1.63 -1.96 0.00 116.57 119.17 2oq3 h LYS 138 Ca 0.06 -0.05 -0.12 0.00 -0.85 0.00 0.00 60.65 59.69 2oq3 h LYS 138 Cb 0.17 -0.17 -0.01 0.00 -0.60 0.00 0.00 32.23 31.62 2oq3 h LYS 138 CO 0.00 0.50 -0.25 0.37 -3.45 0.00 0.00 179.45 176.63 2oq3 h GLN 139 N 0.78 0.82 -0.16 1.90 4.15 -1.63 0.15 115.11 121.12 2oq3 h GLN 139 Ca 0.32 -0.35 -0.05 0.00 0.77 0.00 0.00 58.65 59.34 2oq3 h GLN 139 Cb 0.24 -0.03 -0.00 0.00 0.21 0.00 0.00 27.48 27.90 2oq3 h GLN 139 CO -0.11 0.98 -0.08 -0.07 -1.93 0.00 0.00 178.83 177.62 2oq3 h LEU 140 N 0.70 0.36 -1.48 -2.39 3.38 -1.27 -2.64 115.31 111.96 2oq3 h LEU 140 Ca 0.09 -0.42 0.08 0.00 0.09 0.00 0.00 57.88 57.72 2oq3 h LEU 140 Cb 0.78 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 41.39 2oq3 h LEU 140 CO 0.06 0.69 0.44 0.00 0.09 0.00 0.00 178.44 179.73 2oq3 h ALA 141 N 0.67 1.83 -0.39 1.53 0.00 -0.92 -1.59 119.26 120.40 2oq3 h ALA 141 Ca 0.04 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 2oq3 h ALA 141 Cb 0.56 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 2oq3 h ALA 141 CO 0.02 0.04 0.15 0.22 0.00 0.00 0.00 179.25 179.69 2oq3 h ASP 142 N 0.60 0.54 -0.61 0.00 3.58 -0.50 0.21 116.42 120.24 2oq3 h ASP 142 Ca 0.30 -0.17 -0.04 0.00 0.42 0.00 0.00 57.03 57.55 2oq3 h ASP 142 Cb 0.38 -0.14 -0.03 0.00 1.72 0.00 0.00 39.33 41.27 2oq3 h ASP 142 CO -0.10 0.56 0.25 0.40 -2.88 0.00 0.00 179.24 177.47 2oq3 h ILE 143 N 0.48 1.22 -0.10 2.25 2.04 -1.02 -1.41 117.51 120.97 2oq3 h ILE 143 Ca 0.13 -0.70 0.00 0.00 1.00 0.00 0.00 64.86 65.29 2oq3 h ILE 143 Cb 0.19 0.46 -0.00 0.00 -0.74 0.00 0.00 36.82 36.73 2oq3 h ILE 143 CO -0.01 0.28 0.06 0.40 0.00 0.00 0.00 178.15 178.88 2oq3 h ILE 144 N 0.92 1.04 0.00 -0.67 1.08 -1.03 -3.27 117.51 115.57 2oq3 h ILE 144 Ca 0.22 -0.09 -0.03 0.00 -0.39 0.00 0.00 64.86 64.56 2oq3 h ILE 144 Cb 0.18 0.93 -0.00 0.00 -3.07 0.00 0.00 36.82 34.85 2oq3 h ILE 144 CO -0.02 0.04 -0.15 0.28 -0.69 0.00 0.00 178.15 177.60 2oq3 h SER 145 N 0.12 0.00 -0.06 1.72 0.02 0.13 -2.09 113.55 113.39 2oq3 h SER 145 Ca 0.04 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 60.92 2oq3 h SER 145 Cb 0.01 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.53 2oq3 h SER 145 CO -0.01 0.15 -0.14 0.03 -1.14 0.00 0.00 176.83 175.73 2oq3 h ARG 146 N 0.00 0.40 -0.00 3.45 3.08 -1.50 -3.48 114.38 116.32 2oq3 h ARG 146 Ca -0.00 -0.11 0.00 0.00 0.07 0.00 0.00 59.98 59.94 2oq3 h ARG 146 Cb 0.43 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.43 2oq3 h ARG 146 CO 0.02 0.53 0.00 0.41 -1.07 0.00 0.00 179.97 179.86