#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 3.30 0.27 2.12 3.00 -1.26 -4.85 118.95 121.53 2oq3 s ARG 2 Ca 0.00 1.60 0.01 0.00 0.00 0.00 0.00 55.73 57.34 2oq3 s ARG 2 Cb 0.00 -4.24 0.56 0.00 0.00 0.00 0.00 34.95 31.27 2oq3 s ARG 2 CO 0.00 -1.90 1.80 -0.07 0.00 0.00 0.00 175.30 175.13 2oq3 h LEU 3 N 13.97 0.75 -1.99 2.53 -0.00 -1.24 -1.20 115.31 128.13 2oq3 h LEU 3 Ca -0.36 0.07 0.03 0.00 -0.00 0.00 0.00 57.88 57.62 2oq3 h LEU 3 Cb 1.19 -0.07 -0.00 0.00 -0.00 0.00 0.00 40.66 41.77 2oq3 h LEU 3 CO 1.01 0.36 0.36 0.77 -0.00 0.00 0.00 178.44 180.94 2oq3 h SER 4 N 0.81 0.00 -0.01 -0.43 4.64 -1.77 -0.44 113.55 116.35 2oq3 h SER 4 Ca 0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.81 2oq3 h SER 4 Cb 0.59 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.68 2oq3 h SER 4 CO -0.31 0.00 0.01 -0.78 -0.87 0.00 0.00 176.83 174.88 2oq3 h ASP 5 N 0.00 0.00 0.00 4.97 3.58 -1.60 -2.91 116.42 120.45 2oq3 h ASP 5 Ca 0.05 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.50 2oq3 h ASP 5 Cb 0.77 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.82 2oq3 h ASP 5 CO -0.00 0.00 -1.06 -1.22 -2.88 0.00 0.00 179.24 174.08 2oq3 n TYR 6 N -3.80 0.00 -3.74 0.28 4.01 -0.17 -4.76 117.16 108.98 2oq3 n TYR 6 Ca -0.03 0.00 -0.34 0.00 -0.16 0.00 0.00 57.90 57.37 2oq3 n TYR 6 Cb 0.09 -0.05 -0.09 0.00 -0.31 0.00 0.00 39.34 38.99 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 -2.98 3.66 0.11 -0.72 0.40 -1.10 0.18 117.98 117.53 2oq3 s PHE 7 Ca 0.06 -3.04 -0.27 0.00 -0.60 0.00 0.00 56.93 53.09 2oq3 s PHE 7 Cb 0.15 -3.08 -0.09 0.00 0.51 0.00 0.00 43.02 40.51 2oq3 s PHE 7 CO 0.84 -0.72 1.64 -1.00 0.70 0.00 0.00 175.22 176.69 2oq3 h PRO 8 N 6.14 -0.43 0.00 0.24 0.13 -1.81 -3.46 132.00 132.80 2oq3 h PRO 8 Ca 0.10 0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 2oq3 h PRO 8 Cb 0.84 0.10 0.00 0.00 0.13 0.00 0.00 31.00 32.07 2oq3 h PRO 8 CO 0.78 -0.29 0.00 -1.91 -0.23 0.00 0.00 178.00 176.35 2oq3 n GLU 9 N -5.37 0.00 0.00 0.86 2.13 -1.26 -4.93 120.64 112.08 2oq3 n GLU 9 Ca -0.07 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.75 2oq3 n GLU 9 Cb 0.28 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.99 2oq3 n GLU 9 CO 0.00 0.00 0.00 0.43 -0.41 0.00 0.00 177.13 177.15 2oq3 n SER 10 N 0.00 0.15 0.25 4.31 7.64 -1.26 -4.07 113.62 120.63 2oq3 n SER 10 Ca 0.00 -0.85 0.08 0.00 1.01 0.00 0.00 58.87 59.11 2oq3 n SER 10 Cb 0.00 -0.07 0.61 0.00 -1.01 0.00 0.00 64.21 63.74 2oq3 n SER 10 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 2oq3 h SER 11 N 0.20 0.00 -3.29 6.43 0.02 -1.87 -3.41 113.55 111.63 2oq3 h SER 11 Ca 0.00 0.00 -0.62 0.00 -0.84 0.00 0.00 61.79 60.33 2oq3 h SER 11 Cb 0.07 0.00 -0.18 0.00 0.14 0.00 0.00 62.40 62.43 2oq3 h SER 11 CO 0.00 0.09 -0.60 -0.63 -1.14 0.00 0.00 176.83 174.55 2oq3 s ILE 12 N -4.77 4.43 -0.05 3.27 1.09 -1.26 -0.13 121.20 123.79 2oq3 s ILE 12 Ca -0.04 -0.16 -0.05 0.00 -1.10 0.00 0.00 60.65 59.29 2oq3 s ILE 12 Cb 0.16 -2.98 0.01 0.00 -1.06 0.00 0.00 42.46 38.59 2oq3 s ILE 12 CO 0.66 0.47 0.15 -0.44 -0.10 0.00 0.00 174.94 175.69 2oq3 s SER 13 N 0.36 -0.13 -0.09 3.58 0.01 -0.55 -4.96 113.70 111.92 2oq3 s SER 13 Ca 0.00 0.22 0.01 0.00 1.31 0.00 0.00 55.95 57.49 2oq3 s SER 13 Cb -0.13 0.29 -0.02 0.00 0.21 0.00 0.00 66.02 66.37 2oq3 s SER 13 CO 0.01 -0.10 -0.11 -0.69 0.41 0.00 0.00 173.24 172.76 2oq3 s VAL 14 N -0.15 3.32 0.02 3.43 1.01 -1.26 -1.08 120.40 125.68 2oq3 s VAL 14 Ca -0.02 -0.60 0.02 0.00 0.00 0.00 0.00 61.98 61.37 2oq3 s VAL 14 Cb -0.02 -2.36 -0.01 0.00 0.00 0.00 0.00 36.38 33.98 2oq3 s VAL 14 CO 0.00 0.56 -0.06 -0.63 0.00 0.00 0.00 175.10 174.98 2oq3 s ILE 15 N -0.25 0.40 0.15 2.22 1.01 -0.28 -4.97 121.20 119.49 2oq3 s ILE 15 Ca 0.02 -0.66 -0.16 0.00 0.00 0.00 0.00 60.65 59.85 2oq3 s ILE 15 Cb -0.13 -0.43 0.01 0.00 0.01 0.00 0.00 42.46 41.93 2oq3 s ILE 15 CO 0.03 -0.18 1.80 -0.74 0.00 0.00 0.00 174.94 175.85 2oq3 h HIS 16 N 5.20 0.46 -1.65 3.97 -0.00 -1.96 0.97 115.15 122.14 2oq3 h HIS 16 Ca -0.32 0.01 0.08 0.00 -0.00 0.00 0.00 60.37 60.14 2oq3 h HIS 16 Cb 1.20 -0.15 -0.22 0.00 -0.00 0.00 0.00 27.41 28.24 2oq3 h HIS 16 CO 0.54 0.27 0.52 -1.54 -0.00 0.00 0.00 177.93 177.73 2oq3 s SER 17 N -5.52 -0.39 0.28 3.26 1.04 -1.26 -2.18 113.70 108.93 2oq3 s SER 17 Ca -0.13 0.39 -0.24 0.00 0.48 0.00 0.00 55.95 56.45 2oq3 s SER 17 Cb 0.11 0.32 -0.09 0.00 0.10 0.00 0.00 66.02 66.46 2oq3 s SER 17 CO 0.72 -0.38 0.86 0.00 0.98 0.00 0.00 173.24 175.42 2oq3 s ALA 18 N -1.29 3.29 0.27 5.32 0.00 -1.23 -4.98 121.76 123.14 2oq3 s ALA 18 Ca -0.02 0.39 0.10 0.00 0.00 0.00 0.00 51.96 52.43 2oq3 s ALA 18 Cb -0.00 -3.04 0.36 0.00 0.00 0.00 0.00 23.12 20.43 2oq3 s ALA 18 CO 0.01 0.23 1.61 -0.22 0.00 0.00 0.00 175.76 177.40 2oq3 h LYS 19 N 3.30 0.00 -2.68 0.00 1.63 -1.95 -3.47 116.57 113.40 2oq3 h LYS 19 Ca -0.47 -0.00 0.11 0.00 -0.85 0.00 0.00 60.65 59.44 2oq3 h LYS 19 Cb 1.19 0.00 -0.05 0.00 -0.60 0.00 0.00 32.23 32.77 2oq3 h LYS 19 CO 0.65 0.62 0.39 0.34 -3.45 0.00 0.00 179.45 178.00 2oq3 s ASP 20 N -6.85 -0.13 0.30 4.20 2.15 -1.26 -4.94 116.67 110.14 2oq3 s ASP 20 Ca -0.01 -0.65 0.04 0.00 0.43 0.00 0.00 52.55 52.36 2oq3 s ASP 20 Cb 0.13 0.63 0.49 0.00 -0.30 0.00 0.00 42.92 43.87 2oq3 s ASP 20 CO 0.76 -1.19 1.77 4.11 -0.17 0.00 0.00 175.17 180.45 2oq3 h TRP 21 N 2.00 0.47 -0.24 -5.34 0.09 -1.91 0.69 115.95 111.71 2oq3 h TRP 21 Ca -0.25 -0.09 0.01 0.00 0.09 0.00 0.00 58.89 58.66 2oq3 h TRP 21 Cb 1.24 -0.12 -0.02 0.00 0.08 0.00 0.00 29.16 30.34 2oq3 h TRP 21 CO 0.75 0.62 0.12 1.96 0.09 0.00 0.00 178.44 181.98 2oq3 h GLN 22 N 0.38 0.25 -0.23 0.12 4.20 -1.95 -2.70 115.11 115.17 2oq3 h GLN 22 Ca 0.06 -0.02 -0.07 0.00 0.06 0.00 0.00 58.65 58.69 2oq3 h GLN 22 Cb 0.60 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.30 2oq3 h GLN 22 CO 0.04 0.17 -0.15 1.49 -0.67 0.00 0.00 178.83 179.70 2oq3 h GLU 23 N 0.26 0.40 -0.61 1.46 4.57 -1.78 -0.83 114.58 118.04 2oq3 h GLU 23 Ca 0.10 -0.11 -0.05 0.00 -1.18 0.00 0.00 59.36 58.11 2oq3 h GLU 23 Cb 0.02 -0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 28.54 2oq3 h GLU 23 CO -0.06 0.55 0.18 0.00 -1.18 0.00 0.00 179.01 178.49 2oq3 h ALA 24 N 1.48 1.17 -0.23 2.92 0.00 -0.62 0.22 119.26 124.19 2oq3 h ALA 24 Ca 0.07 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.73 2oq3 h ALA 24 Cb 0.49 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 2oq3 h ALA 24 CO 0.03 0.57 -0.04 0.82 0.00 0.00 0.00 179.25 180.63 2oq3 h ILE 25 N 0.89 1.28 -0.59 0.00 1.08 -1.14 -2.31 117.51 116.73 2oq3 h ILE 25 Ca 0.20 -1.01 0.05 0.00 -0.39 0.00 0.00 64.86 63.71 2oq3 h ILE 25 Cb 0.28 1.47 -0.05 0.00 -3.07 0.00 0.00 36.82 35.45 2oq3 h ILE 25 CO -0.01 0.31 0.31 -0.78 -0.69 0.00 0.00 178.15 177.30 2oq3 h ASP 26 N 0.18 0.45 0.13 1.72 3.58 -0.07 0.16 116.42 122.57 2oq3 h ASP 26 Ca 0.06 0.03 -0.09 0.00 0.42 0.00 0.00 57.03 57.45 2oq3 h ASP 26 Cb 0.49 -0.05 -0.01 0.00 1.72 0.00 0.00 39.33 41.47 2oq3 h ASP 26 CO 0.02 0.30 -0.32 -0.26 -2.88 0.00 0.00 179.24 176.10 2oq3 h PHE 27 N 0.58 0.33 0.00 0.28 0.04 -0.67 0.16 116.94 117.66 2oq3 h PHE 27 Ca 0.26 -0.07 -0.00 0.00 2.80 0.00 0.00 57.97 60.96 2oq3 h PHE 27 Cb 0.17 -0.08 -0.00 0.00 2.20 0.00 0.00 35.95 38.24 2oq3 h PHE 27 CO -0.09 0.58 -0.01 0.77 -0.60 0.00 0.00 178.31 178.95 2oq3 h SER 28 N 0.25 0.00 0.00 2.17 0.02 -0.39 -3.33 113.55 112.27 2oq3 h SER 28 Ca 0.03 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.98 2oq3 h SER 28 Cb 0.69 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.23 2oq3 h SER 28 CO 0.05 0.01 -0.89 0.23 -1.14 0.00 0.00 176.83 175.09 2oq3 n MET 29 N -3.24 1.80 -0.05 3.45 2.81 -0.79 -4.11 117.12 117.01 2oq3 n MET 29 Ca -0.02 0.00 0.04 0.00 -1.81 0.00 0.00 57.70 55.91 2oq3 n MET 29 Cb 0.12 -0.94 0.41 0.00 -0.71 0.00 0.00 33.22 32.09 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 1.09 0.00 2.03 3.04 -0.83 -0.37 116.25 121.21 2oq3 h VAL 30 Ca 0.00 -0.21 -0.03 0.00 -1.01 0.00 0.00 66.70 65.45 2oq3 h VAL 30 Cb 0.35 0.43 -0.00 0.00 -2.01 0.00 0.00 31.29 30.05 2oq3 h VAL 30 CO 0.00 0.11 -0.15 0.28 -1.01 0.00 0.00 177.57 176.80 2oq3 h SER 31 N 0.61 0.00 0.23 3.17 0.02 -1.84 0.12 113.55 115.86 2oq3 h SER 31 Ca 0.19 0.00 -0.32 0.00 -0.84 0.00 0.00 61.79 60.82 2oq3 h SER 31 Cb 0.01 0.00 0.03 0.00 0.14 0.00 0.00 62.40 62.58 2oq3 h SER 31 CO -0.04 0.15 -1.45 -0.07 -1.14 0.00 0.00 176.83 174.27 2oq3 h LEU 32 N 0.00 0.76 -0.95 5.07 3.38 -1.45 -3.33 115.31 118.80 2oq3 h LEU 32 Ca -0.00 -0.93 0.08 0.00 0.09 0.00 0.00 57.88 57.12 2oq3 h LEU 32 Cb 0.27 -0.25 -0.07 0.00 0.09 0.00 0.00 40.66 40.70 2oq3 h LEU 32 CO 0.02 1.69 0.60 0.25 0.09 0.00 0.00 178.44 181.09 2oq3 h LEU 33 N 0.07 0.93 -1.48 1.67 5.85 -0.30 0.51 115.31 122.55 2oq3 h LEU 33 Ca -0.26 0.02 -0.05 0.00 0.84 0.00 0.00 57.88 58.43 2oq3 h LEU 33 Cb 2.09 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 42.94 2oq3 h LEU 33 CO 0.24 0.57 -0.26 -0.78 -0.34 0.00 0.00 178.44 177.87 2oq3 h ASP 34 N 1.06 0.00 -0.57 1.25 3.58 -0.89 -0.36 116.42 120.48 2oq3 h ASP 34 Ca 0.43 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.88 2oq3 h ASP 34 Cb 0.24 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.29 2oq3 h ASP 34 CO -0.20 0.26 0.00 0.29 -2.88 0.00 0.00 179.24 176.71 2oq3 n LYS 35 N -3.93 4.04 -4.29 0.28 4.76 -1.07 -4.97 118.16 112.98 2oq3 n LYS 35 Ca -0.02 -2.96 -0.36 0.00 -2.87 0.00 0.00 58.31 52.10 2oq3 n LYS 35 Cb 0.34 -2.00 -0.05 0.00 -1.84 0.00 0.00 35.03 31.48 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 0.76 -1.98 0.27 4.39 2.04 -0.14 -4.87 115.26 115.72 2oq3 n ASN 36 Ca 0.26 -1.11 0.18 0.00 -0.44 0.00 0.00 54.58 53.46 2oq3 n ASN 36 Cb 0.99 -2.34 0.76 0.00 -2.53 0.00 0.00 39.78 36.66 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 -1.41 0.00 -4.45 -2.53 -1.99 -1.12 -3.41 116.97 102.06 2oq3 h TYR 37 Ca -0.61 0.00 -0.28 0.00 2.00 0.00 0.00 58.73 59.84 2oq3 h TYR 37 Cb 1.39 0.00 -0.12 0.00 2.00 0.00 0.00 36.73 39.99 2oq3 h TYR 37 CO 0.62 0.00 -0.43 0.96 -0.00 0.00 0.00 178.16 179.31 2oq3 s ILE 38 N -3.71 0.00 0.25 -2.88 -4.36 -1.25 -0.57 121.20 108.68 2oq3 s ILE 38 Ca 0.00 -1.84 0.09 0.00 -0.26 0.00 0.00 60.65 58.64 2oq3 s ILE 38 Cb 0.10 -2.49 -0.04 0.00 1.25 0.00 0.00 42.46 41.28 2oq3 s ILE 38 CO 0.49 0.00 0.02 -0.44 0.24 0.00 0.00 174.94 175.26 2oq3 s SER 39 N -3.21 4.70 0.48 4.36 0.01 0.04 -4.72 113.70 115.37 2oq3 s SER 39 Ca 0.35 -0.56 0.14 0.00 1.31 0.00 0.00 55.95 57.20 2oq3 s SER 39 Cb 0.03 -0.94 1.13 0.00 0.21 0.00 0.00 66.02 66.45 2oq3 s SER 39 CO 0.17 0.01 2.09 -0.33 0.41 0.00 0.00 173.24 175.60 2oq3 h GLU 40 N 1.95 0.08 -0.75 12.44 5.08 -1.94 -1.27 114.58 130.18 2oq3 h GLU 40 Ca -0.45 -0.01 0.05 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 30.43 2oq3 h GLU 40 CO 0.60 0.11 0.49 -0.97 -1.00 0.00 0.00 179.01 178.23 2oq3 h ASN 41 N 0.09 0.72 -0.48 1.42 -1.24 -1.94 -2.49 115.58 111.65 2oq3 h ASN 41 Ca 0.02 -0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.03 2oq3 h ASN 41 Cb 0.08 -0.16 -0.02 0.00 0.73 0.00 0.00 38.32 38.95 2oq3 h ASN 41 CO 0.00 0.48 0.31 0.22 -1.29 0.00 0.00 177.43 177.15 2oq3 h TYR 42 N 0.83 0.62 0.06 0.67 3.20 -0.76 0.93 116.97 122.51 2oq3 h TYR 42 Ca 0.31 0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.20 2oq3 h TYR 42 Cb 0.18 -0.21 -0.01 0.00 1.54 0.00 0.00 36.73 38.24 2oq3 h TYR 42 CO -0.00 0.40 -0.06 0.82 -1.64 0.00 0.00 178.16 177.68 2oq3 h ILE 43 N 0.65 0.85 0.00 1.81 2.04 -1.55 -2.74 117.51 118.59 2oq3 h ILE 43 Ca 0.18 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.99 2oq3 h ILE 43 Cb -0.05 0.85 -0.01 0.00 -0.74 0.00 0.00 36.82 36.87 2oq3 h ILE 43 CO -0.04 0.00 -0.24 -0.61 0.00 0.00 0.00 178.15 177.26 2oq3 h GLN 44 N -0.14 0.00 -0.66 2.37 5.75 -0.99 -2.15 115.11 119.30 2oq3 h GLN 44 Ca 0.01 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.51 2oq3 h GLN 44 Cb 0.14 0.00 -0.03 0.00 1.07 0.00 0.00 27.48 28.65 2oq3 h GLN 44 CO -0.02 0.24 0.42 0.00 -2.65 0.00 0.00 178.83 176.82 2oq3 h ALA 45 N 1.76 0.83 -0.06 3.38 0.00 -0.52 0.14 119.26 124.79 2oq3 h ALA 45 Ca -0.00 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 2oq3 h ALA 45 Cb 0.58 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 2oq3 h ALA 45 CO 0.03 0.28 -0.02 0.82 0.00 0.00 0.00 179.25 180.36 2oq3 h ILE 46 N 0.89 1.30 -0.47 0.00 2.04 -1.31 -1.94 117.51 118.03 2oq3 h ILE 46 Ca 0.24 -0.96 0.01 0.00 1.00 0.00 0.00 64.86 65.15 2oq3 h ILE 46 Cb -0.07 1.82 -0.03 0.00 -0.74 0.00 0.00 36.82 37.80 2oq3 h ILE 46 CO -0.05 0.26 0.29 0.11 0.00 0.00 0.00 178.15 178.77 2oq3 h LYS 47 N -0.23 0.58 -0.53 2.37 1.57 -1.14 0.40 116.57 119.58 2oq3 h LYS 47 Ca 0.02 -0.03 -0.05 0.00 -1.87 0.00 0.00 60.65 58.71 2oq3 h LYS 47 Cb 0.43 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.59 2oq3 h LYS 47 CO 0.01 0.38 0.15 0.22 -0.57 0.00 0.00 179.45 179.64 2oq3 h ASP 48 N 0.60 0.79 -0.52 0.86 3.58 -0.73 0.13 116.42 121.13 2oq3 h ASP 48 Ca 0.18 -0.22 -0.05 0.00 0.42 0.00 0.00 57.03 57.37 2oq3 h ASP 48 Cb -0.02 -0.21 -0.02 0.00 1.72 0.00 0.00 39.33 40.80 2oq3 h ASP 48 CO -0.06 0.80 0.14 0.28 -2.88 0.00 0.00 179.24 177.52 2oq3 h SER 49 N 0.74 0.78 -0.63 2.28 0.02 -1.01 0.09 113.55 115.81 2oq3 h SER 49 Ca 0.17 -0.22 0.03 0.00 -0.84 0.00 0.00 61.79 60.92 2oq3 h SER 49 Cb 0.31 -0.20 -0.04 0.00 0.14 0.00 0.00 62.40 62.60 2oq3 h SER 49 CO -0.00 0.80 0.39 0.74 -1.14 0.00 0.00 176.83 177.61 2oq3 h THR 50 N 0.72 1.09 -0.47 -2.27 2.02 -0.59 -2.36 112.91 111.05 2oq3 h THR 50 Ca 0.17 -0.26 -0.13 0.00 0.77 0.00 0.00 66.41 66.95 2oq3 h THR 50 Cb 0.31 0.25 -0.01 0.00 -1.74 0.00 0.00 68.15 66.96 2oq3 h THR 50 CO -0.00 0.14 -0.23 0.40 0.37 0.00 0.00 175.52 176.20 2oq3 h ILE 51 N 0.77 1.27 -0.34 3.11 2.04 -0.73 -2.08 117.51 121.54 2oq3 h ILE 51 Ca 0.25 -1.39 -0.06 0.00 1.00 0.00 0.00 64.86 64.67 2oq3 h ILE 51 Cb 0.01 1.16 -0.02 0.00 -0.74 0.00 0.00 36.82 37.24 2oq3 h ILE 51 CO -0.10 0.48 -0.02 0.78 0.00 0.00 0.00 178.15 179.29 2oq3 h ASN 52 N 0.83 0.51 0.00 1.72 2.35 -0.49 -3.43 115.58 117.07 2oq3 h ASN 52 Ca 0.10 -0.10 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2oq3 h ASN 52 Cb 0.81 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 39.04 2oq3 h ASN 52 CO 0.07 0.60 0.00 -3.20 -1.65 0.00 0.00 177.43 173.25 2oq3 n ASN 53 N -4.26 -0.63 0.00 5.81 5.15 -0.93 -5.09 115.26 115.30 2oq3 n ASN 53 Ca 0.01 0.26 0.00 0.00 -0.60 0.00 0.00 54.58 54.26 2oq3 n ASN 53 Cb 0.26 0.75 0.00 0.00 -0.53 0.00 0.00 39.78 40.26 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 0.54 2.22 3.47 8.20 0.00 -0.78 -4.32 105.19 114.52 2oq3 n GLY 54 Ca 0.00 -1.05 -0.42 0.00 0.00 0.00 0.00 46.02 44.55 2oq3 n GLY 54 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2oq3 n PRO 55 N -0.97 0.66 0.00 1.61 -0.02 -1.26 -3.92 135.00 131.10 2oq3 n PRO 55 Ca 0.00 0.24 0.08 0.00 -2.02 0.00 0.00 63.50 61.80 2oq3 n PRO 55 Cb 0.00 -1.57 -0.07 0.00 -0.02 0.00 0.00 33.50 31.84 2oq3 n PRO 55 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 2oq3 n TYR 56 N -0.81 0.00 -3.35 6.00 4.02 -1.26 -4.79 117.16 116.97 2oq3 n TYR 56 Ca 0.11 0.00 -0.24 0.00 -0.01 0.00 0.00 57.90 57.76 2oq3 n TYR 56 Cb 0.39 0.00 -0.09 0.00 -0.02 0.00 0.00 39.34 39.62 2oq3 n TYR 56 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 176.86 176.56 2oq3 s TYR 57 N -2.48 0.62 -0.10 -0.72 2.02 -1.26 -5.06 117.35 110.36 2oq3 s TYR 57 Ca 0.09 -1.86 0.02 0.00 -0.37 0.00 0.00 57.07 54.95 2oq3 s TYR 57 Cb 0.13 -0.75 0.01 0.00 -0.40 0.00 0.00 41.96 40.96 2oq3 s TYR 57 CO 0.64 -0.88 -0.15 0.42 -1.57 0.00 0.00 175.55 174.01 2oq3 s ILE 58 N 0.50 1.46 0.00 2.71 -1.09 -1.26 -1.18 121.20 122.33 2oq3 s ILE 58 Ca 0.28 -0.63 0.00 0.00 -2.23 0.00 0.00 60.65 58.06 2oq3 s ILE 58 Cb -0.04 -1.32 0.00 0.00 -1.58 0.00 0.00 42.46 39.51 2oq3 s ILE 58 CO -0.12 0.43 0.00 0.18 -1.23 0.00 0.00 174.94 174.20 2oq3 n LEU 59 N 4.04 0.00 -3.57 2.97 4.32 -0.30 -4.97 117.00 119.49 2oq3 n LEU 59 Ca -0.20 0.00 -0.11 0.00 -0.02 0.00 0.00 56.01 55.68 2oq3 n LEU 59 Cb 0.52 0.00 -0.04 0.00 -1.62 0.00 0.00 43.42 42.28 2oq3 n LEU 59 CO 0.25 0.00 0.23 0.00 -1.22 0.00 0.00 177.39 176.65 2oq3 s ALA 60 N -1.99 -1.15 -0.39 -1.18 0.00 -1.09 -5.01 121.76 110.96 2oq3 s ALA 60 Ca 0.00 0.16 -0.27 0.00 0.00 0.00 0.00 51.96 51.85 2oq3 s ALA 60 Cb 0.00 0.71 -0.05 0.00 0.00 0.00 0.00 23.12 23.78 2oq3 s ALA 60 CO 0.00 -0.66 2.20 -1.25 0.00 0.00 0.00 175.76 176.05 2oq3 s PRO 61 N -3.63 2.67 0.00 0.00 0.04 -1.26 -1.14 135.00 131.69 2oq3 s PRO 61 Ca 0.01 1.54 0.00 0.00 0.04 0.00 0.00 61.00 62.59 2oq3 s PRO 61 Cb 0.01 -4.44 0.00 0.00 0.04 0.00 0.00 34.50 30.11 2oq3 s PRO 61 CO -0.11 -2.63 0.00 0.41 0.04 0.00 0.00 177.00 174.71 2oq3 n GLY 62 N 5.81 1.25 2.86 0.56 0.00 -1.25 -5.04 105.19 109.39 2oq3 n GLY 62 Ca 0.31 0.00 -0.24 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 -2.00 0.67 0.37 1.61 1.01 -0.29 -1.57 120.40 120.19 2oq3 s VAL 63 Ca 0.00 -0.11 0.08 0.00 0.00 0.00 0.00 61.98 61.96 2oq3 s VAL 63 Cb 0.00 -0.73 -0.06 0.00 0.00 0.00 0.00 36.38 35.58 2oq3 s VAL 63 CO 0.00 0.29 0.01 0.00 0.00 0.00 0.00 175.10 175.41 2oq3 s ALA 64 N 1.54 3.20 -0.40 5.51 0.00 0.22 -1.15 121.76 130.68 2oq3 s ALA 64 Ca -0.00 -2.12 0.11 0.00 0.00 0.00 0.00 51.96 49.95 2oq3 s ALA 64 Cb -0.13 -0.15 0.35 0.00 0.00 0.00 0.00 23.12 23.19 2oq3 s ALA 64 CO -0.04 -0.02 0.75 -0.12 0.00 0.00 0.00 175.76 176.33 2oq3 n MET 65 N -0.97 1.24 -1.64 0.00 0.00 -0.33 -1.94 117.12 113.48 2oq3 n MET 65 Ca -0.04 -3.56 -0.42 0.00 0.00 0.00 0.00 57.70 53.68 2oq3 n MET 65 Cb 0.64 -1.76 0.00 0.00 0.00 0.00 0.00 33.22 32.10 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 0.24 1.64 -3.61 2.12 -0.02 -1.01 -4.74 135.00 129.62 2oq3 n PRO 66 Ca 0.26 0.58 -0.04 0.00 -2.02 0.00 0.00 63.50 62.27 2oq3 n PRO 66 Cb 0.62 -2.13 -0.03 0.00 -0.02 0.00 0.00 33.50 31.95 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 -1.17 -0.12 0.13 6.00 5.04 -1.26 -1.78 115.29 122.13 2oq3 s HIS 67 Ca 0.60 0.13 0.02 0.00 -1.54 0.00 0.00 55.06 54.26 2oq3 s HIS 67 Cb -0.58 0.50 -0.04 0.00 0.04 0.00 0.00 32.58 32.50 2oq3 s HIS 67 CO 0.59 -0.16 -0.03 0.00 -2.34 0.00 0.00 174.74 172.79 2oq3 s ALA 68 N -1.93 1.12 0.37 1.58 0.00 -1.26 -4.83 121.76 116.82 2oq3 s ALA 68 Ca 0.08 -1.45 -0.26 0.00 0.00 0.00 0.00 51.96 50.33 2oq3 s ALA 68 Cb -0.01 0.35 -0.12 0.00 0.00 0.00 0.00 23.12 23.34 2oq3 s ALA 68 CO -0.05 -0.28 1.06 0.54 0.00 0.00 0.00 175.76 177.04 2oq3 n ARG 69 N -0.13 1.50 -0.33 0.00 1.74 -1.26 -4.85 116.66 113.34 2oq3 n ARG 69 Ca -0.09 0.53 0.20 0.00 -0.77 0.00 0.00 57.85 57.72 2oq3 n ARG 69 Cb 0.62 -2.04 0.41 0.00 -1.02 0.00 0.00 32.46 30.43 2oq3 n ARG 69 CO 0.00 0.00 0.00 -1.35 -1.52 0.00 0.00 177.63 174.76 2oq3 h PRO 70 N 1.86 0.34 0.00 5.56 0.11 -1.93 0.12 132.00 138.06 2oq3 h PRO 70 Ca -0.43 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.66 2oq3 h PRO 70 Cb 1.33 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.36 2oq3 h PRO 70 CO 0.59 0.22 0.00 0.39 -0.21 0.00 0.00 178.00 178.99 2oq3 n GLU 71 N -5.06 0.10 0.00 1.05 -0.58 -1.26 -1.01 120.64 113.87 2oq3 n GLU 71 Ca 0.28 0.54 0.14 0.00 -0.42 0.00 0.00 57.16 57.70 2oq3 n GLU 71 Cb 0.86 -1.78 0.81 0.00 -0.57 0.00 0.00 31.44 30.76 2oq3 n GLU 71 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2oq3 n GLY 73 N 0.90 1.19 3.76 0.00 0.00 -0.74 -2.24 105.19 108.06 2oq3 n GLY 73 Ca 0.19 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.83 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 -1.36 2.96 0.00 4.61 0.00 -0.18 -0.78 121.76 127.01 2oq3 s ALA 74 Ca 0.00 1.14 0.00 0.00 0.00 0.00 0.00 51.96 53.10 2oq3 s ALA 74 Cb 0.00 -3.47 0.00 0.00 0.00 0.00 0.00 23.12 19.65 2oq3 s ALA 74 CO 0.00 -0.96 0.00 1.28 0.00 0.00 0.00 175.76 176.08 2oq3 n LEU 75 N -0.61 0.39 -3.93 0.00 4.77 0.27 -4.80 117.00 113.10 2oq3 n LEU 75 Ca 0.08 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.97 2oq3 n LEU 75 Cb 0.46 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.47 2oq3 n LEU 75 CO 0.51 0.07 -0.15 -0.54 -1.33 0.00 0.00 177.39 175.94 2oq3 s LYS 76 N -1.58 0.84 -0.17 3.23 1.02 -0.45 -4.74 119.74 117.89 2oq3 s LYS 76 Ca 0.00 -1.06 -0.16 0.00 0.02 0.00 0.00 55.97 54.77 2oq3 s LYS 76 Cb 0.00 0.31 -0.04 0.00 -0.52 0.00 0.00 37.83 37.58 2oq3 s LYS 76 CO 0.00 -0.25 0.38 0.99 -0.92 0.00 0.00 175.35 175.54 2oq3 s THR 77 N -3.89 5.23 0.08 2.17 2.01 -1.26 -3.86 115.64 116.12 2oq3 s THR 77 Ca 0.08 0.70 -0.15 0.00 0.31 0.00 0.00 61.69 62.62 2oq3 s THR 77 Cb 0.05 -3.71 0.05 0.00 0.01 0.00 0.00 72.50 68.91 2oq3 s THR 77 CO -0.09 0.31 0.72 0.61 -0.69 0.00 0.00 174.62 175.48 2oq3 n GLY 78 N 3.63 0.71 3.48 4.40 0.00 -0.11 -4.94 105.19 112.36 2oq3 n GLY 78 Ca -0.09 -1.04 -0.11 0.00 0.00 0.00 0.00 46.02 44.77 2oq3 n GLY 78 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2oq3 s MET 79 N -2.03 1.55 0.18 1.61 -1.94 0.13 -0.54 119.30 118.26 2oq3 s MET 79 Ca 0.16 -1.45 -0.01 0.00 -1.71 0.00 0.00 55.69 52.69 2oq3 s MET 79 Cb -0.01 0.42 -0.04 0.00 2.01 0.00 0.00 34.83 37.20 2oq3 s MET 79 CO 0.03 -0.62 0.10 -1.12 -0.01 0.00 0.00 175.02 173.39 2oq3 s SER 80 N -3.10 0.36 -0.43 3.03 0.01 -0.49 -4.60 113.70 108.48 2oq3 s SER 80 Ca 0.28 -1.32 0.05 0.00 1.31 0.00 0.00 55.95 56.27 2oq3 s SER 80 Cb 0.01 0.32 0.17 0.00 0.21 0.00 0.00 66.02 66.73 2oq3 s SER 80 CO 0.12 -0.78 0.47 -0.22 0.41 0.00 0.00 173.24 173.24 2oq3 s LEU 81 N -3.14 0.05 0.17 2.44 2.96 0.82 -1.17 118.68 120.81 2oq3 s LEU 81 Ca 0.33 -2.18 -0.20 0.00 -0.22 0.00 0.00 54.13 51.86 2oq3 s LEU 81 Cb 0.07 0.61 -0.08 0.00 0.50 0.00 0.00 46.19 47.29 2oq3 s LEU 81 CO 0.09 -0.16 0.69 -0.89 -1.32 0.00 0.00 176.35 174.75 2oq3 s THR 82 N 0.75 4.58 -0.10 3.68 2.01 -0.15 -1.49 115.64 124.92 2oq3 s THR 82 Ca 0.27 1.32 -0.02 0.00 0.31 0.00 0.00 61.69 63.57 2oq3 s THR 82 Cb -0.03 -3.92 0.04 0.00 0.01 0.00 0.00 72.50 68.59 2oq3 s THR 82 CO -0.10 0.36 0.03 -0.22 -0.69 0.00 0.00 174.62 174.00 2oq3 s LEU 83 N -1.60 0.60 -0.05 4.42 0.20 -0.24 -1.27 118.68 120.73 2oq3 s LEU 83 Ca 0.38 -0.26 -0.21 0.00 0.69 0.00 0.00 54.13 54.73 2oq3 s LEU 83 Cb -0.19 -0.40 -0.05 0.00 -0.43 0.00 0.00 46.19 45.13 2oq3 s LEU 83 CO 0.22 -0.24 0.59 -0.76 -0.29 0.00 0.00 176.35 175.86 2oq3 s LEU 84 N 2.00 4.35 0.43 -0.68 2.01 0.11 -1.13 118.68 125.78 2oq3 s LEU 84 Ca 0.03 1.07 0.16 0.00 0.01 0.00 0.00 54.13 55.40 2oq3 s LEU 84 Cb -0.14 -2.90 0.97 0.00 0.01 0.00 0.00 46.19 44.14 2oq3 s LEU 84 CO -0.06 0.01 1.95 -0.33 1.01 0.00 0.00 176.35 178.94 2oq3 h GLU 85 N 6.25 0.00 -2.44 1.70 5.08 -0.87 -3.31 114.58 120.99 2oq3 h GLU 85 Ca -0.43 0.00 -0.59 0.00 -1.00 0.00 0.00 59.36 57.34 2oq3 h GLU 85 Cb 1.19 0.00 -0.40 0.00 0.50 0.00 0.00 28.75 30.04 2oq3 h GLU 85 CO 0.73 0.23 -0.81 1.04 -1.00 0.00 0.00 179.01 179.20 2oq3 n GLN 86 N -4.15 1.25 -0.78 2.33 6.02 -0.93 -5.01 117.38 116.11 2oq3 n GLN 86 Ca -0.02 -3.86 -0.33 0.00 -0.01 0.00 0.00 57.00 52.77 2oq3 n GLN 86 Cb 0.30 -1.86 0.13 0.00 1.02 0.00 0.00 30.24 29.82 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 1.85 -2.14 3.21 1.08 0.00 -1.25 -3.55 105.19 104.41 2oq3 n GLY 87 Ca 0.25 -0.76 -0.22 0.00 0.00 0.00 0.00 46.02 45.30 2oq3 n GLY 87 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2oq3 s VAL 88 N -2.37 1.40 0.61 1.61 1.01 -1.09 -4.74 120.40 116.84 2oq3 s VAL 88 Ca 0.56 -1.26 0.08 0.00 0.00 0.00 0.00 61.98 61.37 2oq3 s VAL 88 Cb -0.20 -1.27 0.10 0.00 0.00 0.00 0.00 36.38 35.01 2oq3 s VAL 88 CO 0.68 -0.01 0.84 -0.72 0.00 0.00 0.00 175.10 175.88 2oq3 s TYR 89 N -1.01 1.32 0.12 5.22 1.13 -1.26 -0.90 117.35 121.97 2oq3 s TYR 89 Ca 0.03 -0.68 0.05 0.00 -1.41 0.00 0.00 57.07 55.06 2oq3 s TYR 89 Cb -0.09 -2.33 -0.04 0.00 -1.10 0.00 0.00 41.96 38.40 2oq3 s TYR 89 CO 0.02 -1.31 -0.11 -0.06 -2.51 0.00 0.00 175.55 171.58 2oq3 s PHE 90 N -2.77 1.23 -1.80 -3.49 0.08 -0.83 -4.52 117.98 105.87 2oq3 s PHE 90 Ca 0.63 -0.65 0.06 0.00 0.12 0.00 0.00 56.93 57.09 2oq3 s PHE 90 Cb -0.05 -0.65 0.35 0.00 -0.57 0.00 0.00 43.02 42.10 2oq3 s PHE 90 CO 0.40 0.07 0.91 -0.35 -0.10 0.00 0.00 175.22 176.16 2oq3 n PRO 91 N 0.33 0.16 -0.83 0.24 -0.04 -1.26 -1.56 135.00 132.04 2oq3 n PRO 91 Ca -0.14 0.08 0.01 0.00 -0.04 0.00 0.00 63.50 63.40 2oq3 n PRO 91 Cb 0.58 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.54 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 -0.66 0.71 2.88 0.55 0.00 -1.26 -4.86 105.19 102.54 2oq3 n GLY 92 Ca 0.04 -0.25 -0.11 0.00 0.00 0.00 0.00 46.02 45.70 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 -1.18 0.63 0.53 1.61 2.47 -0.60 -4.48 114.94 113.92 2oq3 s ASN 93 Ca 0.10 -0.64 0.30 0.00 0.42 0.00 0.00 52.86 53.04 2oq3 s ASN 93 Cb 0.11 0.97 1.48 0.00 -1.45 0.00 0.00 41.25 42.36 2oq3 s ASN 93 CO -0.05 -0.34 2.06 -0.78 -3.72 0.00 0.00 177.10 174.27 2oq3 h ASP 94 N 7.97 0.00 -3.35 -4.21 3.58 -1.95 -2.22 116.42 116.24 2oq3 h ASP 94 Ca -0.07 0.00 -0.53 0.00 0.42 0.00 0.00 57.03 56.85 2oq3 h ASP 94 Cb 1.11 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 42.15 2oq3 h ASP 94 CO 0.26 0.10 0.49 -0.70 -2.88 0.00 0.00 179.24 176.51 2oq3 s GLU 95 N -4.02 4.51 0.59 0.28 2.56 -1.26 -4.80 118.70 116.55 2oq3 s GLU 95 Ca -0.02 1.67 -0.16 0.00 0.00 0.00 0.00 54.97 56.47 2oq3 s GLU 95 Cb 0.12 -3.35 -0.04 0.00 2.00 0.00 0.00 34.13 32.86 2oq3 s GLU 95 CO 0.56 -0.11 1.05 -1.25 -0.56 0.00 0.00 175.26 174.95 2oq3 s PRO 96 N 0.63 3.39 -0.16 4.30 0.04 -1.26 -4.53 135.00 137.41 2oq3 s PRO 96 Ca 0.54 1.16 0.01 0.00 0.04 0.00 0.00 61.00 62.75 2oq3 s PRO 96 Cb -0.27 -2.04 0.00 0.00 0.04 0.00 0.00 34.50 32.22 2oq3 s PRO 96 CO 0.30 -0.75 -0.17 0.42 0.04 0.00 0.00 177.00 176.85 2oq3 s ILE 97 N -2.50 2.50 -0.05 0.56 -1.09 -0.07 -3.76 121.20 116.78 2oq3 s ILE 97 Ca 0.63 -0.82 0.05 0.00 -2.23 0.00 0.00 60.65 58.27 2oq3 s ILE 97 Cb -0.15 -2.04 -0.24 0.00 -1.58 0.00 0.00 42.46 38.44 2oq3 s ILE 97 CO 0.37 0.52 0.65 0.11 -1.23 0.00 0.00 174.94 175.36 2oq3 h LYS 98 N 7.39 0.10 -5.45 2.79 1.57 -1.57 -2.90 116.57 118.50 2oq3 h LYS 98 Ca -0.34 -0.17 -0.67 0.00 -1.87 0.00 0.00 60.65 57.60 2oq3 h LYS 98 Cb 1.19 0.07 -0.29 0.00 0.08 0.00 0.00 32.23 33.27 2oq3 h LYS 98 CO 0.57 0.79 -0.81 -0.51 -0.57 0.00 0.00 179.45 178.92 2oq3 s LEU 99 N -6.49 2.49 -0.24 2.94 1.43 -0.64 -0.71 118.68 117.47 2oq3 s LEU 99 Ca -0.09 -0.40 -0.03 0.00 -1.03 0.00 0.00 54.13 52.58 2oq3 s LEU 99 Cb 0.08 -1.53 0.08 0.00 0.03 0.00 0.00 46.19 44.84 2oq3 s LEU 99 CO 0.81 0.18 0.09 -0.76 0.23 0.00 0.00 176.35 176.91 2oq3 s LEU 100 N 0.23 1.02 -0.41 1.79 1.02 -0.40 -0.61 118.68 121.32 2oq3 s LEU 100 Ca -0.11 -1.08 -0.23 0.00 0.02 0.00 0.00 54.13 52.72 2oq3 s LEU 100 Cb -0.16 -0.50 0.02 0.00 0.02 0.00 0.00 46.19 45.57 2oq3 s LEU 100 CO 0.06 -0.38 0.80 -0.63 0.02 0.00 0.00 176.35 176.22 2oq3 s ILE 101 N 1.94 4.67 0.58 -0.59 1.09 -0.82 -0.97 121.20 127.10 2oq3 s ILE 101 Ca 0.05 0.71 -0.16 0.00 -1.10 0.00 0.00 60.65 60.14 2oq3 s ILE 101 Cb -0.17 -4.28 -0.04 0.00 -1.06 0.00 0.00 42.46 36.91 2oq3 s ILE 101 CO -0.20 -0.58 1.06 -0.83 -0.10 0.00 0.00 174.94 174.28 2oq3 s GLY 102 N 2.00 2.20 -0.11 6.18 0.00 -0.31 -2.41 107.32 114.86 2oq3 s GLY 102 Ca 0.31 0.44 -0.07 0.00 0.00 0.00 0.00 44.72 45.40 2oq3 s GLY 102 CO 0.20 0.76 0.27 -2.27 0.00 0.00 0.00 173.10 172.05 2oq3 s LEU 103 N -4.33 0.60 0.06 0.66 0.20 -0.73 -1.40 118.68 113.74 2oq3 s LEU 103 Ca 0.64 0.56 0.06 0.00 0.69 0.00 0.00 54.13 56.09 2oq3 s LEU 103 Cb -0.16 0.85 -0.03 0.00 -0.43 0.00 0.00 46.19 46.42 2oq3 s LEU 103 CO 0.34 -0.14 -0.17 -0.94 -0.29 0.00 0.00 176.35 175.15 2oq3 s SER 104 N 0.83 2.09 -0.11 3.68 1.04 0.30 -4.31 113.70 117.22 2oq3 s SER 104 Ca -0.06 -0.57 -0.07 0.00 0.48 0.00 0.00 55.95 55.74 2oq3 s SER 104 Cb -0.07 -0.12 0.04 0.00 0.10 0.00 0.00 66.02 65.97 2oq3 s SER 104 CO -0.05 0.04 0.27 0.00 0.98 0.00 0.00 173.24 174.48 2oq3 s ALA 105 N -1.02 -0.63 0.03 5.32 0.00 -1.25 -0.93 121.76 123.27 2oq3 s ALA 105 Ca 0.03 0.98 0.25 0.00 0.00 0.00 0.00 51.96 53.22 2oq3 s ALA 105 Cb -0.09 -0.61 0.85 0.00 0.00 0.00 0.00 23.12 23.28 2oq3 s ALA 105 CO 0.02 -0.18 1.79 0.00 0.00 0.00 0.00 175.76 177.39 2oq3 h ALA 106 N 6.77 0.98 -2.56 0.00 0.00 -1.85 -3.39 119.26 119.21 2oq3 h ALA 106 Ca -0.36 -0.16 -0.12 0.00 0.00 0.00 0.00 54.91 54.27 2oq3 h ALA 106 Cb 1.17 -0.03 -0.17 0.00 0.00 0.00 0.00 17.79 18.76 2oq3 h ALA 106 CO 0.36 0.23 -0.49 0.34 0.00 0.00 0.00 179.25 179.68 2oq3 s ASP 107 N -6.12 0.17 0.38 0.00 2.15 -1.26 -4.93 116.67 107.05 2oq3 s ASP 107 Ca 0.02 -0.55 0.04 0.00 0.43 0.00 0.00 52.55 52.49 2oq3 s ASP 107 Cb 0.09 0.25 0.73 0.00 -0.30 0.00 0.00 42.92 43.69 2oq3 s ASP 107 CO 0.63 -0.55 2.03 0.00 -0.17 0.00 0.00 175.17 177.11 2oq3 h ALA 108 N 3.48 1.61 -0.01 3.66 0.00 -1.99 0.04 119.26 126.05 2oq3 h ALA 108 Ca -0.33 -0.04 -0.16 0.00 0.00 0.00 0.00 54.91 54.39 2oq3 h ALA 108 Cb 1.18 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.74 2oq3 h ALA 108 CO 0.52 0.36 -0.73 0.22 0.00 0.00 0.00 179.25 179.62 2oq3 h ASP 109 N 0.73 0.12 -0.62 0.00 3.58 -1.98 -0.93 116.42 117.31 2oq3 h ASP 109 Ca 0.20 -0.08 -0.07 0.00 0.42 0.00 0.00 57.03 57.50 2oq3 h ASP 109 Cb -0.08 -0.03 -0.03 0.00 1.72 0.00 0.00 39.33 40.90 2oq3 h ASP 109 CO -0.04 0.80 0.13 0.28 -2.88 0.00 0.00 179.24 177.53 2oq3 h SER 110 N 0.06 0.99 -0.17 2.28 0.02 -1.76 -0.34 113.55 114.63 2oq3 h SER 110 Ca -0.02 -0.21 0.01 0.00 -0.84 0.00 0.00 61.79 60.73 2oq3 h SER 110 Cb 1.29 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 63.55 2oq3 h SER 110 CO 0.10 0.97 0.06 -0.74 -1.14 0.00 0.00 176.83 176.08 2oq3 h HIS 111 N 0.98 0.12 0.11 3.45 -0.00 -0.69 -0.66 115.15 118.47 2oq3 h HIS 111 Ca 0.20 0.01 0.02 0.00 -0.00 0.00 0.00 60.37 60.60 2oq3 h HIS 111 Cb 0.39 -0.03 -0.03 0.00 -0.00 0.00 0.00 27.41 27.74 2oq3 h HIS 111 CO 0.03 0.06 -0.23 0.82 -0.00 0.00 0.00 177.93 178.61 2oq3 h ILE 112 N 0.15 0.49 -0.94 6.26 1.08 -0.88 0.50 117.51 124.17 2oq3 h ILE 112 Ca 0.07 0.00 0.03 0.00 -0.39 0.00 0.00 64.86 64.57 2oq3 h ILE 112 Cb 0.04 0.49 -0.05 0.00 -3.07 0.00 0.00 36.82 34.23 2oq3 h ILE 112 CO -0.07 0.00 0.62 1.23 -0.69 0.00 0.00 178.15 179.24 2oq3 h GLY 113 N -0.42 1.35 0.61 5.37 0.00 -0.87 0.25 103.07 109.35 2oq3 h GLY 113 Ca 0.03 -0.48 -0.01 0.00 0.00 0.00 0.00 47.33 46.87 2oq3 h GLY 113 CO -0.13 0.44 -0.10 0.00 0.00 0.00 0.00 176.54 176.75 2oq3 h ALA 114 N 1.43 -0.27 -0.58 3.60 0.00 -0.79 -2.48 119.26 120.17 2oq3 h ALA 114 Ca 0.36 -0.19 0.11 0.00 0.00 0.00 0.00 54.91 55.19 2oq3 h ALA 114 Cb -0.05 0.11 -0.09 0.00 0.00 0.00 0.00 17.79 17.75 2oq3 h ALA 114 CO -0.10 -0.45 0.08 0.82 0.00 0.00 0.00 179.25 179.59 2oq3 h ILE 115 N -0.67 0.61 0.00 0.00 1.08 -0.67 0.33 117.51 118.18 2oq3 h ILE 115 Ca -0.03 -0.07 0.00 0.00 -0.39 0.00 0.00 64.86 64.37 2oq3 h ILE 115 Cb 0.48 0.39 0.00 0.00 -3.07 0.00 0.00 36.82 34.61 2oq3 h ILE 115 CO 0.05 0.04 0.00 0.00 -0.69 0.00 0.00 178.15 177.54 2oq3 n GLN 116 N -5.18 0.03 -0.09 2.37 1.13 0.06 -0.74 117.38 114.95 2oq3 n GLN 116 Ca 0.08 0.33 -0.23 0.00 -1.94 0.00 0.00 57.00 55.24 2oq3 n GLN 116 Cb 0.32 -1.56 -0.12 0.00 0.11 0.00 0.00 30.24 28.99 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 -1.54 1.00 0.20 -1.58 0.00 -0.08 -4.48 120.51 114.03 2oq3 n ALA 117 Ca 0.02 -0.75 0.07 0.00 0.00 0.00 0.00 53.44 52.78 2oq3 n ALA 117 Cb 0.14 -0.36 0.35 0.00 0.00 0.00 0.00 19.45 19.58 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 -0.60 0.00 -2.74 0.00 8.10 -0.34 -1.53 115.31 118.21 2oq3 h LEU 118 Ca -0.49 0.00 -0.00 0.00 0.11 0.00 0.00 57.88 57.50 2oq3 h LEU 118 Cb 1.64 0.00 -0.00 0.00 -0.44 0.00 0.00 40.66 41.86 2oq3 h LEU 118 CO -0.17 0.33 -0.01 0.77 -4.11 0.00 0.00 178.44 175.25 2oq3 h SER 119 N 0.00 0.00 0.55 0.17 4.64 -1.17 0.22 113.55 117.96 2oq3 h SER 119 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2oq3 h SER 119 Cb 0.89 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.98 2oq3 h SER 119 CO 0.04 0.01 0.00 -0.33 -0.87 0.00 0.00 176.83 175.68 2oq3 h GLU 120 N 0.00 0.00 0.00 4.77 4.39 -1.49 -2.12 114.58 120.12 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 0.00 -0.45 1.28 -1.16 0.00 0.00 179.01 178.68 2oq3 n LEU 121 N -2.95 1.12 0.28 1.33 4.77 0.36 -4.56 117.00 117.35 2oq3 n LEU 121 Ca -0.01 0.18 0.17 0.00 -0.03 0.00 0.00 56.01 56.33 2oq3 n LEU 121 Cb 0.19 -0.52 0.95 0.00 -2.33 0.00 0.00 43.42 41.71 2oq3 n LEU 121 CO 0.23 -0.45 1.15 -0.07 -1.33 0.00 0.00 177.39 176.91 2oq3 h LEU 122 N -0.45 0.00 -3.35 2.23 -0.00 -0.81 -2.05 115.31 110.88 2oq3 h LEU 122 Ca 0.00 0.00 -0.16 0.00 -0.00 0.00 0.00 57.88 57.72 2oq3 h LEU 122 Cb 0.45 0.00 -0.10 0.00 -0.00 0.00 0.00 40.66 41.02 2oq3 h LEU 122 CO 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 178.44 178.39 2oq3 s GLU 124 N -3.18 0.70 0.57 0.00 0.41 -0.77 -4.97 118.70 111.45 2oq3 s GLU 124 Ca 0.44 -0.89 0.26 0.00 -0.41 0.00 0.00 54.97 54.38 2oq3 s GLU 124 Cb 0.40 -1.97 1.59 0.00 -1.78 0.00 0.00 34.13 32.36 2oq3 s GLU 124 CO 0.01 -0.90 2.13 1.05 -0.49 0.00 0.00 175.26 177.06 2oq3 h GLU 125 N 8.14 0.00 -0.44 1.61 4.11 -1.89 0.28 114.58 126.39 2oq3 h GLU 125 Ca -0.15 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.27 2oq3 h GLU 125 Cb 1.04 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.27 2oq3 h GLU 125 CO 0.44 0.00 0.22 0.93 0.07 0.00 0.00 179.01 180.67 2oq3 h GLU 126 N 0.00 0.62 -0.16 1.06 4.39 -1.94 -2.74 114.58 115.81 2oq3 h GLU 126 Ca 0.07 -0.09 -0.05 0.00 0.34 0.00 0.00 59.36 59.63 2oq3 h GLU 126 Cb 0.35 -0.12 -0.00 0.00 -0.10 0.00 0.00 28.75 28.88 2oq3 h GLU 126 CO -0.00 0.52 -0.11 0.82 -1.16 0.00 0.00 179.01 179.08 2oq3 h ILE 127 N 0.57 1.33 -0.78 3.13 5.03 -1.28 -3.18 117.51 122.33 2oq3 h ILE 127 Ca 0.15 -1.22 0.16 0.00 -0.12 0.00 0.00 64.86 63.83 2oq3 h ILE 127 Cb 0.09 1.78 -0.10 0.00 -3.03 0.00 0.00 36.82 35.57 2oq3 h ILE 127 CO -0.02 0.36 0.31 -0.07 -0.68 0.00 0.00 178.15 178.04 2oq3 h LEU 128 N 0.01 0.26 -0.62 1.44 4.07 -1.03 0.10 115.31 119.54 2oq3 h LEU 128 Ca 0.03 0.12 -0.15 0.00 0.08 0.00 0.00 57.88 57.96 2oq3 h LEU 128 Cb 0.62 0.11 -0.01 0.00 1.08 0.00 0.00 40.66 42.45 2oq3 h LEU 128 CO 0.03 0.07 -0.56 1.05 -1.08 0.00 0.00 178.44 177.96 2oq3 h GLU 129 N 0.42 0.39 -0.09 1.13 4.11 -1.56 0.47 114.58 119.46 2oq3 h GLU 129 Ca 0.44 -0.25 -0.17 0.00 0.07 0.00 0.00 59.36 59.46 2oq3 h GLU 129 Cb 0.71 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.98 2oq3 h GLU 129 CO -0.44 0.84 -0.67 1.96 0.07 0.00 0.00 179.01 180.77 2oq3 h GLN 130 N 0.30 0.37 0.25 1.06 4.20 -0.99 -0.61 115.11 119.69 2oq3 h GLN 130 Ca 0.00 -0.28 -0.01 0.00 0.06 0.00 0.00 58.65 58.42 2oq3 h GLN 130 Cb 1.07 0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.90 2oq3 h GLN 130 CO 0.09 0.91 -0.12 -0.07 -0.67 0.00 0.00 178.83 178.97 2oq3 h LEU 131 N 0.26 -0.29 -1.76 1.46 3.38 -0.79 -3.06 115.31 114.51 2oq3 h LEU 131 Ca -0.02 -0.17 0.09 0.00 0.09 0.00 0.00 57.88 57.87 2oq3 h LEU 131 Cb 1.22 0.07 -0.03 0.00 0.09 0.00 0.00 40.66 42.02 2oq3 h LEU 131 CO 0.11 0.02 0.33 -0.07 0.09 0.00 0.00 178.44 178.93 2oq3 h LEU 132 N -0.62 0.25 -0.75 1.67 3.38 -0.65 0.02 115.31 118.61 2oq3 h LEU 132 Ca -0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.94 2oq3 h LEU 132 Cb 0.45 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.15 2oq3 h LEU 132 CO 0.06 0.15 -0.02 0.35 0.09 0.00 0.00 178.44 179.07 2oq3 n THR 133 N -4.46 0.00 -1.75 0.22 -2.24 -0.26 -4.93 114.28 100.86 2oq3 n THR 133 Ca 0.08 -0.20 -0.42 0.00 -2.27 0.00 0.00 64.05 61.24 2oq3 n THR 133 Cb 0.36 0.31 -0.01 0.00 -2.10 0.00 0.00 70.33 68.89 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 -0.11 2.19 -0.23 6.98 0.00 -0.01 -4.92 120.51 124.41 2oq3 n ALA 134 Ca 0.19 0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.99 2oq3 n ALA 134 Cb 0.31 -2.40 0.00 0.00 0.00 0.00 0.00 19.45 17.37 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 0.97 1.47 -3.69 0.00 7.64 -1.26 -5.04 113.62 113.70 2oq3 n SER 135 Ca 0.04 -1.70 -0.13 0.00 1.01 0.00 0.00 58.87 58.09 2oq3 n SER 135 Cb 0.38 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.51 2oq3 n SER 135 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2oq3 s SER 136 N -0.70 -0.25 0.42 6.43 1.04 -1.26 -5.02 113.70 114.36 2oq3 s SER 136 Ca 0.00 0.01 0.10 0.00 0.48 0.00 0.00 55.95 56.54 2oq3 s SER 136 Cb 0.00 0.40 0.91 0.00 0.10 0.00 0.00 66.02 67.43 2oq3 s SER 136 CO 0.00 -0.61 2.01 -0.33 0.98 0.00 0.00 173.24 175.28 2oq3 h GLU 137 N 3.21 0.26 -0.92 4.02 5.08 -1.93 -2.59 114.58 121.72 2oq3 h GLU 137 Ca -0.31 -0.04 0.05 0.00 -1.00 0.00 0.00 59.36 58.06 2oq3 h GLU 137 Cb 1.20 -0.05 -0.06 0.00 0.50 0.00 0.00 28.75 30.34 2oq3 h GLU 137 CO 0.43 0.29 0.59 -0.22 -1.00 0.00 0.00 179.01 179.10 2oq3 h LYS 138 N 0.26 1.08 -0.01 2.33 1.63 -1.96 0.24 116.57 120.15 2oq3 h LYS 138 Ca 0.06 -0.07 -0.16 0.00 -0.85 0.00 0.00 60.65 59.64 2oq3 h LYS 138 Cb 0.18 -0.24 -0.02 0.00 -0.60 0.00 0.00 32.23 31.54 2oq3 h LYS 138 CO 0.00 0.72 -0.74 0.37 -3.45 0.00 0.00 179.45 176.35 2oq3 h GLN 139 N 1.12 0.07 0.01 1.90 5.75 -1.87 0.12 115.11 122.20 2oq3 h GLN 139 Ca 0.38 -0.06 -0.00 0.00 -0.15 0.00 0.00 58.65 58.82 2oq3 h GLN 139 Cb 0.07 0.02 0.00 0.00 1.07 0.00 0.00 27.48 28.64 2oq3 h GLN 139 CO -0.14 0.78 -0.00 -0.07 -2.65 0.00 0.00 178.83 176.74 2oq3 h LEU 140 N 0.04 -0.01 -1.89 -2.39 3.38 -1.25 -2.90 115.31 110.29 2oq3 h LEU 140 Ca -0.01 -0.43 0.08 0.00 0.09 0.00 0.00 57.88 57.60 2oq3 h LEU 140 Cb 1.31 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.05 2oq3 h LEU 140 CO 0.10 0.43 0.24 0.00 0.09 0.00 0.00 178.44 179.30 2oq3 h ALA 141 N 0.54 2.16 -0.37 1.53 0.00 -0.90 -1.26 119.26 120.96 2oq3 h ALA 141 Ca -0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 2oq3 h ALA 141 Cb 0.44 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 2oq3 h ALA 141 CO 0.00 -0.24 0.19 0.22 0.00 0.00 0.00 179.25 179.42 2oq3 h ASP 142 N 0.13 0.47 -0.40 0.00 3.58 -0.68 -0.49 116.42 119.04 2oq3 h ASP 142 Ca 0.16 -0.10 -0.08 0.00 0.42 0.00 0.00 57.03 57.43 2oq3 h ASP 142 Cb 0.47 -0.12 -0.02 0.00 1.72 0.00 0.00 39.33 41.38 2oq3 h ASP 142 CO -0.02 0.44 -0.02 0.40 -2.88 0.00 0.00 179.24 177.16 2oq3 h ILE 143 N 0.46 1.25 -0.22 2.25 2.04 -1.07 -1.57 117.51 120.65 2oq3 h ILE 143 Ca 0.13 -1.04 0.04 0.00 1.00 0.00 0.00 64.86 64.99 2oq3 h ILE 143 Cb 0.08 0.90 -0.04 0.00 -0.74 0.00 0.00 36.82 37.03 2oq3 h ILE 143 CO -0.02 0.37 -0.02 0.40 0.00 0.00 0.00 178.15 178.88 2oq3 h ILE 144 N 0.75 0.82 0.00 -0.67 1.08 -1.09 -3.17 117.51 115.23 2oq3 h ILE 144 Ca 0.14 -0.02 -0.04 0.00 -0.39 0.00 0.00 64.86 64.55 2oq3 h ILE 144 Cb 0.48 0.77 -0.01 0.00 -3.07 0.00 0.00 36.82 34.99 2oq3 h ILE 144 CO 0.02 0.01 -0.21 0.28 -0.69 0.00 0.00 178.15 177.56 2oq3 h SER 145 N 0.05 0.00 -0.07 1.72 0.02 -0.09 -1.92 113.55 113.26 2oq3 h SER 145 Ca 0.11 0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 60.96 2oq3 h SER 145 Cb 0.14 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.67 2oq3 h SER 145 CO -0.19 0.21 -0.25 0.03 -1.14 0.00 0.00 176.83 175.49 2oq3 h ARG 146 N 0.00 0.51 0.00 3.45 3.08 -1.43 -3.47 114.38 116.52 2oq3 h ARG 146 Ca -0.00 -0.19 0.00 0.00 0.07 0.00 0.00 59.98 59.85 2oq3 h ARG 146 Cb 0.51 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.53 2oq3 h ARG 146 CO 0.03 0.72 0.00 0.41 -1.07 0.00 0.00 179.97 180.06