#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 3.59 0.22 2.12 1.70 -1.26 -4.85 118.95 120.47 2oq3 s ARG 2 Ca 0.00 2.24 -0.09 0.00 -0.47 0.00 0.00 55.73 57.41 2oq3 s ARG 2 Cb 0.00 -4.26 0.26 0.00 -0.57 0.00 0.00 34.95 30.37 2oq3 s ARG 2 CO 0.00 -1.57 1.82 -0.07 -1.08 0.00 0.00 175.30 174.39 2oq3 h LEU 3 N 12.99 0.61 -1.98 -1.89 -0.00 -1.19 -2.38 115.31 121.47 2oq3 h LEU 3 Ca -0.44 0.03 0.13 0.00 -0.00 0.00 0.00 57.88 57.60 2oq3 h LEU 3 Cb 1.23 -0.10 -0.02 0.00 -0.00 0.00 0.00 40.66 41.78 2oq3 h LEU 3 CO 0.96 0.40 0.45 0.28 -0.00 0.00 0.00 178.44 180.52 2oq3 h SER 4 N 0.75 0.00 -0.05 -0.43 0.02 -1.75 -0.28 113.55 111.81 2oq3 h SER 4 Ca 0.31 0.00 0.01 0.00 -0.84 0.00 0.00 61.79 61.28 2oq3 h SER 4 Cb 0.18 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.71 2oq3 h SER 4 CO -0.18 0.00 0.04 -0.78 -1.14 0.00 0.00 176.83 174.77 2oq3 h ASP 5 N 0.00 0.00 0.55 3.07 3.58 -1.80 -2.56 116.42 119.26 2oq3 h ASP 5 Ca 0.21 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.66 2oq3 h ASP 5 Cb 1.11 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.16 2oq3 h ASP 5 CO -0.00 0.00 -0.70 -1.22 -2.88 0.00 0.00 179.24 174.43 2oq3 n TYR 6 N -4.31 0.22 -3.75 0.28 4.01 -0.11 -4.69 117.16 108.80 2oq3 n TYR 6 Ca -0.02 0.06 -0.34 0.00 -0.16 0.00 0.00 57.90 57.44 2oq3 n TYR 6 Cb 0.14 -0.40 -0.10 0.00 -0.31 0.00 0.00 39.34 38.68 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 -3.10 3.55 0.10 -0.72 0.40 -0.97 0.17 117.98 117.41 2oq3 s PHE 7 Ca 0.08 -2.97 -0.27 0.00 -0.60 0.00 0.00 56.93 53.16 2oq3 s PHE 7 Cb 0.15 -3.09 -0.13 0.00 0.51 0.00 0.00 43.02 40.47 2oq3 s PHE 7 CO 0.74 -0.75 1.67 -1.00 0.70 0.00 0.00 175.22 176.58 2oq3 h PRO 8 N 6.39 -0.43 0.00 0.24 0.13 -1.80 -3.46 132.00 133.06 2oq3 h PRO 8 Ca 0.06 0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 2oq3 h PRO 8 Cb 0.87 0.10 0.00 0.00 0.13 0.00 0.00 31.00 32.10 2oq3 h PRO 8 CO 0.75 -0.29 0.00 -1.91 -0.23 0.00 0.00 178.00 176.33 2oq3 n GLU 9 N -5.32 0.00 0.00 0.86 2.13 -1.26 -4.93 120.64 112.12 2oq3 n GLU 9 Ca -0.08 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.74 2oq3 n GLU 9 Cb 0.24 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.95 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 -0.17 0.27 -0.00 4.31 7.64 -1.26 -4.20 113.62 120.20 2oq3 n SER 10 Ca 0.00 -0.88 0.00 0.00 1.01 0.00 0.00 58.87 59.00 2oq3 n SER 10 Cb 0.00 -0.14 0.00 0.00 -1.01 0.00 0.00 64.21 63.06 2oq3 n SER 10 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2oq3 n SER 11 N -0.01 0.01 -3.78 6.43 7.64 -1.26 -4.62 113.62 118.01 2oq3 n SER 11 Ca 0.00 -1.69 -0.15 0.00 1.01 0.00 0.00 58.87 58.03 2oq3 n SER 11 Cb 0.07 -0.00 -0.16 0.00 -1.01 0.00 0.00 64.21 63.10 2oq3 n SER 11 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 2oq3 s ILE 12 N -1.99 0.00 -0.24 0.44 -1.09 -1.25 0.14 121.20 117.21 2oq3 s ILE 12 Ca 0.00 0.18 -0.19 0.00 -2.23 0.00 0.00 60.65 58.41 2oq3 s ILE 12 Cb 0.00 -0.13 0.06 0.00 -1.58 0.00 0.00 42.46 40.81 2oq3 s ILE 12 CO 0.00 0.10 0.61 -0.44 -1.23 0.00 0.00 174.94 173.99 2oq3 s SER 13 N 1.05 -0.71 -0.09 3.58 0.01 -0.21 -4.97 113.70 112.36 2oq3 s SER 13 Ca -0.09 1.27 -0.03 0.00 1.31 0.00 0.00 55.95 58.42 2oq3 s SER 13 Cb -0.13 1.24 -0.03 0.00 0.21 0.00 0.00 66.02 67.30 2oq3 s SER 13 CO -0.03 -0.22 0.02 0.54 0.41 0.00 0.00 173.24 173.96 2oq3 s VAL 14 N 0.77 4.46 0.01 3.43 0.11 -1.26 -1.14 120.40 126.79 2oq3 s VAL 14 Ca -0.04 -0.19 0.02 0.00 -2.93 0.00 0.00 61.98 58.85 2oq3 s VAL 14 Cb -0.05 -2.89 -0.01 0.00 -1.53 0.00 0.00 36.38 31.90 2oq3 s VAL 14 CO -0.06 0.60 -0.06 -0.63 -3.33 0.00 0.00 175.10 171.62 2oq3 s ILE 15 N -0.86 0.47 0.26 7.04 1.01 0.02 -4.95 121.20 124.19 2oq3 s ILE 15 Ca 0.13 -0.56 0.01 0.00 0.00 0.00 0.00 60.65 60.23 2oq3 s ILE 15 Cb -0.11 -0.46 0.04 0.00 0.01 0.00 0.00 42.46 41.94 2oq3 s ILE 15 CO 0.02 -0.07 1.68 0.45 0.00 0.00 0.00 174.94 177.02 2oq3 h HIS 16 N 5.43 0.61 -1.28 3.97 3.86 -1.94 0.10 115.15 125.89 2oq3 h HIS 16 Ca -0.31 -0.14 0.15 0.00 -1.16 0.00 0.00 60.37 58.91 2oq3 h HIS 16 Cb 1.20 -0.14 -0.28 0.00 1.06 0.00 0.00 27.41 29.24 2oq3 h HIS 16 CO 0.50 0.77 0.74 -1.54 0.86 0.00 0.00 177.93 179.26 2oq3 s SER 17 N -6.81 -0.20 0.43 2.45 1.04 -1.26 -2.62 113.70 106.72 2oq3 s SER 17 Ca -0.07 0.32 -0.20 0.00 0.48 0.00 0.00 55.95 56.47 2oq3 s SER 17 Cb 0.13 0.30 -0.11 0.00 0.10 0.00 0.00 66.02 66.45 2oq3 s SER 17 CO 0.80 -0.11 0.94 0.00 0.98 0.00 0.00 173.24 175.85 2oq3 s ALA 18 N -0.38 3.06 0.23 5.32 0.00 -1.26 -4.97 121.76 123.75 2oq3 s ALA 18 Ca 0.05 0.37 -0.07 0.00 0.00 0.00 0.00 51.96 52.31 2oq3 s ALA 18 Cb -0.03 -3.13 0.24 0.00 0.00 0.00 0.00 23.12 20.20 2oq3 s ALA 18 CO -0.08 0.12 1.90 -0.22 0.00 0.00 0.00 175.76 177.47 2oq3 h LYS 19 N 1.87 1.12 0.00 0.00 3.11 -1.99 -3.47 116.57 117.22 2oq3 h LYS 19 Ca -0.49 -0.07 0.08 0.00 -2.81 0.00 0.00 60.65 57.37 2oq3 h LYS 19 Cb 1.18 -0.25 -0.01 0.00 -1.00 0.00 0.00 32.23 32.14 2oq3 h LYS 19 CO 0.61 0.74 0.34 -0.40 -2.81 0.00 0.00 179.45 177.94 2oq3 n ASP 20 N -4.50 -1.16 0.15 4.20 5.75 -1.26 -4.98 116.55 114.75 2oq3 n ASP 20 Ca 0.10 -1.64 0.00 0.00 -0.01 0.00 0.00 54.79 53.24 2oq3 n ASP 20 Cb 0.05 1.89 0.29 0.00 -1.03 0.00 0.00 41.12 42.31 2oq3 n ASP 20 CO 0.00 0.00 0.00 4.11 -0.11 0.00 0.00 177.20 181.20 2oq3 h TRP 21 N 1.62 0.08 -0.24 2.11 5.08 -1.90 0.65 115.95 123.37 2oq3 h TRP 21 Ca -0.18 -0.02 -0.00 0.00 1.08 0.00 0.00 58.89 59.77 2oq3 h TRP 21 Cb 0.76 -0.02 -0.01 0.00 -3.00 0.00 0.00 29.16 26.89 2oq3 h TRP 21 CO 0.00 0.49 0.14 1.96 -1.28 0.00 0.00 178.44 179.75 2oq3 h GLN 22 N 0.06 0.32 -0.51 0.12 4.20 -1.99 -2.04 115.11 115.28 2oq3 h GLN 22 Ca 0.00 -0.03 -0.02 0.00 0.06 0.00 0.00 58.65 58.66 2oq3 h GLN 22 Cb 0.78 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 28.46 2oq3 h GLN 22 CO 0.06 0.26 0.23 1.49 -0.67 0.00 0.00 178.83 180.19 2oq3 h GLU 23 N 0.30 0.72 -0.31 1.46 4.57 -1.77 -1.60 114.58 117.94 2oq3 h GLU 23 Ca 0.09 -0.09 -0.05 0.00 -1.18 0.00 0.00 59.36 58.12 2oq3 h GLU 23 Cb 0.02 -0.14 -0.02 0.00 -0.16 0.00 0.00 28.75 28.45 2oq3 h GLU 23 CO -0.02 0.57 -0.02 0.00 -1.18 0.00 0.00 179.01 178.37 2oq3 h ALA 24 N 1.53 1.39 -0.14 2.92 0.00 -0.41 0.21 119.26 124.78 2oq3 h ALA 24 Ca 0.18 -0.20 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 2oq3 h ALA 24 Cb 0.10 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 2oq3 h ALA 24 CO -0.02 0.42 -0.13 0.82 0.00 0.00 0.00 179.25 180.34 2oq3 h ILE 25 N 0.46 1.35 -0.46 0.00 2.04 -0.83 -1.36 117.51 118.71 2oq3 h ILE 25 Ca 0.10 -1.28 0.05 0.00 1.00 0.00 0.00 64.86 64.73 2oq3 h ILE 25 Cb 0.33 1.89 -0.05 0.00 -0.74 0.00 0.00 36.82 38.25 2oq3 h ILE 25 CO 0.01 0.37 0.19 -0.78 0.00 0.00 0.00 178.15 177.95 2oq3 h ASP 26 N -0.05 0.24 -0.27 1.72 3.58 -0.54 -0.13 116.42 120.97 2oq3 h ASP 26 Ca 0.02 0.04 -0.04 0.00 0.42 0.00 0.00 57.03 57.48 2oq3 h ASP 26 Cb 0.66 0.01 -0.02 0.00 1.72 0.00 0.00 39.33 41.70 2oq3 h ASP 26 CO 0.03 0.17 0.07 -0.26 -2.88 0.00 0.00 179.24 176.37 2oq3 h PHE 27 N 0.38 0.53 0.00 0.28 0.04 -0.65 0.23 116.94 117.76 2oq3 h PHE 27 Ca 0.21 -0.04 -0.01 0.00 2.80 0.00 0.00 57.97 60.94 2oq3 h PHE 27 Cb 0.18 -0.16 -0.00 0.00 2.20 0.00 0.00 35.95 38.16 2oq3 h PHE 27 CO -0.13 0.48 -0.03 0.77 -0.60 0.00 0.00 178.31 178.79 2oq3 h SER 28 N 0.52 0.00 0.00 2.17 0.02 0.15 -3.34 113.55 113.07 2oq3 h SER 28 Ca 0.12 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.07 2oq3 h SER 28 Cb 0.23 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.77 2oq3 h SER 28 CO -0.00 0.03 -0.62 0.23 -1.14 0.00 0.00 176.83 175.33 2oq3 n MET 29 N -3.30 2.20 -0.12 3.45 2.81 -0.62 -3.88 117.12 117.67 2oq3 n MET 29 Ca -0.02 0.00 0.06 0.00 -1.81 0.00 0.00 57.70 55.93 2oq3 n MET 29 Cb 0.17 -0.79 0.38 0.00 -0.71 0.00 0.00 33.22 32.28 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 1.04 -0.61 2.03 3.04 -0.71 -0.33 116.25 120.72 2oq3 h VAL 30 Ca 0.00 -0.23 -0.00 0.00 -1.01 0.00 0.00 66.70 65.46 2oq3 h VAL 30 Cb 0.00 0.31 -0.03 0.00 -2.01 0.00 0.00 31.29 29.56 2oq3 h VAL 30 CO 0.00 0.12 0.37 0.28 -1.01 0.00 0.00 177.57 177.34 2oq3 h SER 31 N 0.67 0.71 0.16 3.17 0.02 -1.83 0.13 113.55 116.59 2oq3 h SER 31 Ca 0.26 -0.03 -0.30 0.00 -0.84 0.00 0.00 61.79 60.88 2oq3 h SER 31 Cb 0.18 -0.18 0.03 0.00 0.14 0.00 0.00 62.40 62.57 2oq3 h SER 31 CO -0.08 0.54 -1.28 -0.07 -1.14 0.00 0.00 176.83 174.80 2oq3 h LEU 32 N 0.83 0.84 -0.93 5.07 3.38 -1.44 -3.24 115.31 119.83 2oq3 h LEU 32 Ca 0.22 -0.86 0.07 0.00 0.09 0.00 0.00 57.88 57.40 2oq3 h LEU 32 Cb -0.05 -0.27 -0.07 0.00 0.09 0.00 0.00 40.66 40.37 2oq3 h LEU 32 CO -0.04 1.63 0.58 0.25 0.09 0.00 0.00 178.44 180.95 2oq3 h LEU 33 N 0.18 0.92 -1.02 1.67 5.85 -0.49 0.13 115.31 122.54 2oq3 h LEU 33 Ca -0.21 0.02 -0.10 0.00 0.84 0.00 0.00 57.88 58.43 2oq3 h LEU 33 Cb 1.97 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 42.81 2oq3 h LEU 33 CO 0.24 0.58 -0.36 -0.78 -0.34 0.00 0.00 178.44 177.79 2oq3 h ASP 34 N 1.05 0.25 -0.51 1.25 3.58 -0.81 -1.00 116.42 120.23 2oq3 h ASP 34 Ca 0.41 -0.10 0.00 0.00 0.42 0.00 0.00 57.03 57.76 2oq3 h ASP 34 Cb 0.19 -0.07 0.00 0.00 1.72 0.00 0.00 39.33 41.17 2oq3 h ASP 34 CO -0.18 0.60 0.00 0.29 -2.88 0.00 0.00 179.24 177.07 2oq3 n LYS 35 N -4.07 3.90 -4.33 0.28 4.76 -1.13 -4.95 118.16 112.62 2oq3 n LYS 35 Ca -0.01 -2.57 -0.38 0.00 -2.87 0.00 0.00 58.31 52.48 2oq3 n LYS 35 Cb 0.44 -2.01 -0.05 0.00 -1.84 0.00 0.00 35.03 31.57 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 0.69 -2.52 0.30 4.39 2.04 -0.38 -4.86 115.26 114.91 2oq3 n ASN 36 Ca 0.23 -1.10 0.19 0.00 -0.44 0.00 0.00 54.58 53.45 2oq3 n ASN 36 Cb 0.94 -2.32 0.85 0.00 -2.53 0.00 0.00 39.78 36.72 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 -1.30 0.00 -4.27 -2.53 -1.99 -0.98 -3.41 116.97 102.48 2oq3 h TYR 37 Ca -0.60 0.00 -0.18 0.00 2.00 0.00 0.00 58.73 59.96 2oq3 h TYR 37 Cb 1.39 0.00 -0.13 0.00 2.00 0.00 0.00 36.73 39.98 2oq3 h TYR 37 CO 0.65 0.01 -0.47 0.96 -0.00 0.00 0.00 178.16 179.31 2oq3 s ILE 38 N -3.85 0.02 0.35 -2.88 -4.36 -1.24 -0.54 121.20 108.69 2oq3 s ILE 38 Ca -0.01 -1.78 0.07 0.00 -0.26 0.00 0.00 60.65 58.66 2oq3 s ILE 38 Cb 0.10 -2.30 -0.01 0.00 1.25 0.00 0.00 42.46 41.51 2oq3 s ILE 38 CO 0.51 -0.09 0.45 -0.94 0.24 0.00 0.00 174.94 175.11 2oq3 s SER 39 N -3.09 5.81 0.48 4.36 1.04 -0.25 -4.63 113.70 117.42 2oq3 s SER 39 Ca 0.31 -0.28 0.15 0.00 0.48 0.00 0.00 55.95 56.61 2oq3 s SER 39 Cb 0.05 -1.11 1.14 0.00 0.10 0.00 0.00 66.02 66.20 2oq3 s SER 39 CO 0.09 -0.46 2.08 -0.33 0.98 0.00 0.00 173.24 175.60 2oq3 h GLU 40 N 0.92 0.04 -0.41 4.02 5.08 -1.95 -1.87 114.58 120.41 2oq3 h GLU 40 Ca -0.45 -0.00 0.02 0.00 -1.00 0.00 0.00 59.36 57.93 2oq3 h GLU 40 Cb 1.26 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.48 2oq3 h GLU 40 CO 0.53 0.09 0.27 -0.97 -1.00 0.00 0.00 179.01 177.93 2oq3 h ASN 41 N 0.04 0.42 -0.84 1.42 -1.24 -1.94 -2.76 115.58 110.67 2oq3 h ASN 41 Ca 0.01 -0.01 0.01 0.00 0.71 0.00 0.00 56.30 57.02 2oq3 h ASN 41 Cb 0.12 -0.10 -0.04 0.00 0.73 0.00 0.00 38.32 39.03 2oq3 h ASN 41 CO 0.01 0.30 0.56 0.22 -1.29 0.00 0.00 177.43 177.22 2oq3 h TYR 42 N 0.49 1.05 -0.08 0.67 3.20 -1.34 0.47 116.97 121.43 2oq3 h TYR 42 Ca 0.16 0.03 0.01 0.00 3.14 0.00 0.00 58.73 62.06 2oq3 h TYR 42 Cb 0.03 -0.36 -0.01 0.00 1.54 0.00 0.00 36.73 37.94 2oq3 h TYR 42 CO -0.00 0.66 0.02 0.82 -1.64 0.00 0.00 178.16 178.02 2oq3 h ILE 43 N 1.13 0.98 0.00 1.81 5.03 -1.62 -2.73 117.51 122.11 2oq3 h ILE 43 Ca 0.31 -0.02 -0.07 0.00 -0.12 0.00 0.00 64.86 64.96 2oq3 h ILE 43 Cb -0.12 0.91 -0.01 0.00 -3.03 0.00 0.00 36.82 34.57 2oq3 h ILE 43 CO -0.07 0.01 -0.34 1.56 -0.68 0.00 0.00 178.15 178.63 2oq3 h GLN 44 N 0.06 0.00 -0.72 2.37 1.08 -1.36 -2.48 115.11 114.06 2oq3 h GLN 44 Ca 0.04 0.00 0.07 0.00 -1.45 0.00 0.00 58.65 57.31 2oq3 h GLN 44 Cb 0.02 0.00 -0.06 0.00 -0.05 0.00 0.00 27.48 27.39 2oq3 h GLN 44 CO -0.04 0.34 0.40 0.00 -0.95 0.00 0.00 178.83 178.58 2oq3 h ALA 45 N 1.66 0.99 -0.22 3.87 0.00 -0.62 0.18 119.26 125.13 2oq3 h ALA 45 Ca -0.00 0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.85 2oq3 h ALA 45 Cb 0.63 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 2oq3 h ALA 45 CO 0.04 0.06 -0.18 0.82 0.00 0.00 0.00 179.25 180.00 2oq3 h ILE 46 N 0.72 1.32 -0.72 0.00 2.04 -1.34 -2.12 117.51 117.41 2oq3 h ILE 46 Ca 0.33 -1.32 -0.04 0.00 1.00 0.00 0.00 64.86 64.84 2oq3 h ILE 46 Cb 0.25 1.69 -0.03 0.00 -0.74 0.00 0.00 36.82 37.99 2oq3 h ILE 46 CO -0.21 0.40 0.29 0.11 0.00 0.00 0.00 178.15 178.74 2oq3 h LYS 47 N 0.20 1.07 -0.72 2.37 1.57 -0.97 0.79 116.57 120.88 2oq3 h LYS 47 Ca 0.04 -0.19 -0.06 0.00 -1.87 0.00 0.00 60.65 58.56 2oq3 h LYS 47 Cb 0.71 -0.17 -0.03 0.00 0.08 0.00 0.00 32.23 32.82 2oq3 h LYS 47 CO 0.05 0.88 0.20 0.22 -0.57 0.00 0.00 179.45 180.23 2oq3 h ASP 48 N 1.03 1.05 -0.54 0.86 3.58 -0.67 0.05 116.42 121.78 2oq3 h ASP 48 Ca 0.24 -0.21 -0.03 0.00 0.42 0.00 0.00 57.03 57.45 2oq3 h ASP 48 Cb 0.21 -0.28 -0.03 0.00 1.72 0.00 0.00 39.33 40.96 2oq3 h ASP 48 CO -0.02 0.99 0.23 0.28 -2.88 0.00 0.00 179.24 177.84 2oq3 h SER 49 N 1.07 0.77 -0.41 2.28 0.02 -0.79 -0.35 113.55 116.14 2oq3 h SER 49 Ca 0.23 -0.10 -0.12 0.00 -0.84 0.00 0.00 61.79 60.96 2oq3 h SER 49 Cb 0.33 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.66 2oq3 h SER 49 CO -0.00 0.69 -0.20 0.74 -1.14 0.00 0.00 176.83 176.92 2oq3 h THR 50 N 0.83 1.27 -0.66 -2.27 2.02 0.06 -2.38 112.91 111.79 2oq3 h THR 50 Ca 0.20 -1.34 -0.05 0.00 0.77 0.00 0.00 66.41 65.99 2oq3 h THR 50 Cb 0.17 1.13 -0.03 0.00 -1.74 0.00 0.00 68.15 67.68 2oq3 h THR 50 CO -0.02 0.46 0.23 0.40 0.37 0.00 0.00 175.52 176.96 2oq3 h ILE 51 N 0.79 1.25 -0.33 3.11 2.04 -0.67 -2.23 117.51 121.46 2oq3 h ILE 51 Ca 0.11 -0.81 -0.08 0.00 1.00 0.00 0.00 64.86 65.08 2oq3 h ILE 51 Cb 0.75 0.54 -0.02 0.00 -0.74 0.00 0.00 36.82 37.35 2oq3 h ILE 51 CO 0.06 0.32 -0.12 0.78 0.00 0.00 0.00 178.15 179.18 2oq3 h ASN 52 N 0.94 0.56 0.00 1.72 2.35 -0.59 -3.42 115.58 117.14 2oq3 h ASN 52 Ca 0.22 -0.15 0.00 0.00 -0.55 0.00 0.00 56.30 55.81 2oq3 h ASN 52 Cb 0.26 -0.15 0.00 0.00 0.05 0.00 0.00 38.32 38.48 2oq3 h ASN 52 CO -0.01 0.71 0.00 -3.20 -1.65 0.00 0.00 177.43 173.28 2oq3 n ASN 53 N -4.19 0.00 0.00 5.81 5.15 -0.94 -5.10 115.26 116.00 2oq3 n ASN 53 Ca 0.01 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.99 2oq3 n ASN 53 Cb 0.34 0.23 0.00 0.00 -0.53 0.00 0.00 39.78 39.82 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 0.02 0.03 3.68 8.20 0.00 -0.84 -4.83 105.19 111.45 2oq3 n GLY 54 Ca 0.00 -1.63 -0.42 0.00 0.00 0.00 0.00 46.02 43.97 2oq3 n GLY 54 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2oq3 s PRO 55 N -1.52 4.15 0.16 1.61 0.04 -1.26 -3.86 135.00 134.33 2oq3 s PRO 55 Ca 0.00 2.51 0.26 0.00 0.04 0.00 0.00 61.00 63.82 2oq3 s PRO 55 Cb 0.00 -3.78 0.91 0.00 0.04 0.00 0.00 34.50 31.68 2oq3 s PRO 55 CO 0.00 -0.85 1.80 0.66 0.04 0.00 0.00 177.00 178.65 2oq3 n TYR 56 N 6.27 0.70 -3.67 0.56 4.02 -1.26 -4.59 117.16 119.19 2oq3 n TYR 56 Ca 0.18 0.21 -0.30 0.00 -0.01 0.00 0.00 57.90 57.98 2oq3 n TYR 56 Cb 0.40 -0.84 -0.15 0.00 -0.02 0.00 0.00 39.34 38.72 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 -3.09 1.32 -0.00 -0.72 1.51 -1.26 -5.07 117.35 110.04 2oq3 s TYR 57 Ca 0.11 -1.53 0.03 0.00 -1.01 0.00 0.00 57.07 54.66 2oq3 s TYR 57 Cb 0.13 -1.49 -0.01 0.00 -0.11 0.00 0.00 41.96 40.49 2oq3 s TYR 57 CO 0.56 -0.86 -0.09 0.42 -1.11 0.00 0.00 175.55 174.47 2oq3 s ILE 58 N 1.68 0.71 -0.05 2.71 -1.09 -1.26 -0.91 121.20 122.98 2oq3 s ILE 58 Ca 0.10 -0.41 0.04 0.00 -2.23 0.00 0.00 60.65 58.15 2oq3 s ILE 58 Cb -0.17 -0.60 -0.06 0.00 -1.58 0.00 0.00 42.46 40.05 2oq3 s ILE 58 CO -0.27 0.18 0.01 0.18 -1.23 0.00 0.00 174.94 173.81 2oq3 n LEU 59 N 2.80 0.48 -3.55 2.97 7.99 -0.73 -4.94 117.00 122.03 2oq3 n LEU 59 Ca -0.14 -0.01 -0.12 0.00 -0.01 0.00 0.00 56.01 55.74 2oq3 n LEU 59 Cb 0.57 0.07 -0.04 0.00 -0.11 0.00 0.00 43.42 43.91 2oq3 n LEU 59 CO 0.25 0.21 0.27 0.00 -1.51 0.00 0.00 177.39 176.61 2oq3 s ALA 60 N -2.13 -1.26 -0.13 -1.18 0.00 -1.23 -5.03 121.76 110.81 2oq3 s ALA 60 Ca -0.04 0.30 -0.39 0.00 0.00 0.00 0.00 51.96 51.84 2oq3 s ALA 60 Cb 0.02 0.67 -0.16 0.00 0.00 0.00 0.00 23.12 23.65 2oq3 s ALA 60 CO 0.20 -0.65 1.58 -2.30 0.00 0.00 0.00 175.76 174.60 2oq3 n PRO 61 N -0.10 1.16 -0.71 0.00 -0.02 -1.26 -1.11 135.00 132.96 2oq3 n PRO 61 Ca -0.17 0.42 0.00 0.00 -2.02 0.00 0.00 63.50 61.73 2oq3 n PRO 61 Cb 0.63 -2.09 0.00 0.00 -0.02 0.00 0.00 33.50 32.02 2oq3 n PRO 61 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2oq3 n GLY 62 N 3.53 0.87 2.90 -1.23 0.00 -1.26 -5.00 105.19 104.99 2oq3 n GLY 62 Ca 0.23 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.96 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 -3.43 1.28 0.38 1.61 1.01 -0.27 -1.57 120.40 119.42 2oq3 s VAL 63 Ca 0.00 -0.99 0.08 0.00 0.00 0.00 0.00 61.98 61.06 2oq3 s VAL 63 Cb 0.00 -1.57 -0.03 0.00 0.00 0.00 0.00 36.38 34.78 2oq3 s VAL 63 CO 0.00 -0.07 0.30 0.00 0.00 0.00 0.00 175.10 175.33 2oq3 s ALA 64 N 1.52 3.88 -0.38 5.51 0.00 -0.50 -1.77 121.76 130.02 2oq3 s ALA 64 Ca -0.04 -1.82 0.11 0.00 0.00 0.00 0.00 51.96 50.22 2oq3 s ALA 64 Cb -0.18 -0.99 0.33 0.00 0.00 0.00 0.00 23.12 22.29 2oq3 s ALA 64 CO -0.07 -0.11 0.72 -0.12 0.00 0.00 0.00 175.76 176.18 2oq3 n MET 65 N -1.41 0.93 -1.60 0.00 0.00 -0.09 -2.45 117.12 112.49 2oq3 n MET 65 Ca 0.01 -3.28 -0.42 0.00 0.00 0.00 0.00 57.70 54.01 2oq3 n MET 65 Cb 0.61 -1.60 0.01 0.00 0.00 0.00 0.00 33.22 32.23 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 0.46 1.35 -3.64 2.12 -0.02 -1.04 -4.71 135.00 129.54 2oq3 n PRO 66 Ca 0.23 0.48 -0.03 0.00 -2.02 0.00 0.00 63.50 62.17 2oq3 n PRO 66 Cb 0.64 -2.00 -0.03 0.00 -0.02 0.00 0.00 33.50 32.09 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 -1.24 -0.05 0.05 6.00 5.04 -1.26 -1.82 115.29 122.02 2oq3 s HIS 67 Ca 0.62 0.06 0.02 0.00 -1.54 0.00 0.00 55.06 54.22 2oq3 s HIS 67 Cb -0.58 0.50 -0.03 0.00 0.04 0.00 0.00 32.58 32.51 2oq3 s HIS 67 CO 0.58 -0.06 -0.07 0.00 -2.34 0.00 0.00 174.74 172.85 2oq3 s ALA 68 N -1.50 0.62 0.41 1.58 0.00 -1.26 -4.81 121.76 116.80 2oq3 s ALA 68 Ca 0.10 -0.93 -0.25 0.00 0.00 0.00 0.00 51.96 50.88 2oq3 s ALA 68 Cb -0.01 0.10 -0.11 0.00 0.00 0.00 0.00 23.12 23.11 2oq3 s ALA 68 CO -0.05 -0.11 1.08 0.54 0.00 0.00 0.00 175.76 177.21 2oq3 n ARG 69 N 0.99 1.50 -0.31 0.00 1.74 -1.26 -4.81 116.66 114.51 2oq3 n ARG 69 Ca -0.20 0.53 0.16 0.00 -0.77 0.00 0.00 57.85 57.58 2oq3 n ARG 69 Cb 0.57 -2.11 0.34 0.00 -1.02 0.00 0.00 32.46 30.23 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 1.71 0.25 0.00 5.56 0.11 -1.93 -0.14 132.00 137.57 2oq3 h PRO 70 Ca -0.45 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.65 2oq3 h PRO 70 Cb 1.33 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.38 2oq3 h PRO 70 CO 0.58 0.17 0.00 -0.85 -0.21 0.00 0.00 178.00 177.68 2oq3 n GLU 71 N -5.16 0.11 0.00 1.05 0.28 -1.26 -0.81 120.64 114.84 2oq3 n GLU 71 Ca 0.24 0.58 0.12 0.00 -0.16 0.00 0.00 57.16 57.93 2oq3 n GLU 71 Cb 0.76 -1.83 0.57 0.00 1.43 0.00 0.00 31.44 32.36 2oq3 n GLU 71 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2oq3 n GLY 73 N 0.80 -0.09 3.77 0.00 0.00 -0.90 -3.37 105.19 105.40 2oq3 n GLY 73 Ca 0.09 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.74 2oq3 n GLY 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2oq3 s ALA 74 N -0.43 3.10 0.00 4.61 0.00 0.01 -1.09 121.76 127.96 2oq3 s ALA 74 Ca 0.00 0.97 0.00 0.00 0.00 0.00 0.00 51.96 52.93 2oq3 s ALA 74 Cb 0.00 -3.39 0.00 0.00 0.00 0.00 0.00 23.12 19.73 2oq3 s ALA 74 CO 0.00 -0.60 0.00 1.28 0.00 0.00 0.00 175.76 176.44 2oq3 n LEU 75 N -0.12 0.42 -4.06 0.00 4.77 0.30 -4.81 117.00 113.50 2oq3 n LEU 75 Ca 0.05 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.94 2oq3 n LEU 75 Cb 0.47 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.47 2oq3 n LEU 75 CO 0.50 0.07 -0.18 -0.54 -1.33 0.00 0.00 177.39 175.91 2oq3 s LYS 76 N -1.52 1.00 -0.16 3.23 1.02 -0.56 -4.76 119.74 117.99 2oq3 s LYS 76 Ca 0.00 -1.30 -0.13 0.00 0.02 0.00 0.00 55.97 54.57 2oq3 s LYS 76 Cb 0.00 0.30 -0.05 0.00 -0.52 0.00 0.00 37.83 37.56 2oq3 s LYS 76 CO 0.00 -0.32 0.25 0.99 -0.92 0.00 0.00 175.35 175.36 2oq3 s THR 77 N -4.00 5.33 0.01 2.17 2.01 -1.26 -3.90 115.64 116.00 2oq3 s THR 77 Ca 0.19 0.47 -0.25 0.00 0.31 0.00 0.00 61.69 62.41 2oq3 s THR 77 Cb 0.06 -3.59 0.08 0.00 0.01 0.00 0.00 72.50 69.06 2oq3 s THR 77 CO -0.00 0.42 1.13 0.61 -0.69 0.00 0.00 174.62 176.09 2oq3 n GLY 78 N 3.29 0.32 3.34 4.40 0.00 0.05 -4.97 105.19 111.61 2oq3 n GLY 78 Ca -0.13 -1.05 -0.12 0.00 0.00 0.00 0.00 46.02 44.72 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 1.38 0.12 1.61 -1.94 0.13 -0.98 119.30 117.60 2oq3 s MET 79 Ca 0.26 -1.55 -0.11 0.00 -1.71 0.00 0.00 55.69 52.59 2oq3 s MET 79 Cb -0.01 0.34 0.00 0.00 2.01 0.00 0.00 34.83 37.18 2oq3 s MET 79 CO 0.00 -0.50 0.27 -1.54 -0.01 0.00 0.00 175.02 173.24 2oq3 s SER 80 N -3.14 0.01 -0.09 3.03 1.04 -0.48 -4.49 113.70 109.59 2oq3 s SER 80 Ca 0.34 -0.64 -0.03 0.00 0.48 0.00 0.00 55.95 56.10 2oq3 s SER 80 Cb 0.04 0.40 0.05 0.00 0.10 0.00 0.00 66.02 66.61 2oq3 s SER 80 CO 0.13 -0.82 0.11 -0.22 0.98 0.00 0.00 173.24 173.42 2oq3 s LEU 81 N -2.88 0.08 0.01 2.42 2.96 0.12 -0.43 118.68 120.95 2oq3 s LEU 81 Ca 0.08 0.03 0.07 0.00 -0.22 0.00 0.00 54.13 54.09 2oq3 s LEU 81 Cb 0.04 0.02 -0.02 0.00 0.50 0.00 0.00 46.19 46.73 2oq3 s LEU 81 CO -0.08 -0.27 -0.22 -0.89 -1.32 0.00 0.00 176.35 173.57 2oq3 s THR 82 N 2.22 1.74 0.03 3.68 2.01 0.23 -1.05 115.64 124.50 2oq3 s THR 82 Ca 0.04 -1.04 0.03 0.00 0.31 0.00 0.00 61.69 61.03 2oq3 s THR 82 Cb -0.13 -1.47 -0.02 0.00 0.01 0.00 0.00 72.50 70.90 2oq3 s THR 82 CO -0.06 0.40 -0.10 -0.22 -0.69 0.00 0.00 174.62 173.95 2oq3 s LEU 83 N -0.76 2.18 -0.08 4.42 2.96 -0.29 -1.30 118.68 125.81 2oq3 s LEU 83 Ca 0.08 -0.43 0.03 0.00 -0.22 0.00 0.00 54.13 53.59 2oq3 s LEU 83 Cb -0.09 -0.38 -0.02 0.00 0.50 0.00 0.00 46.19 46.20 2oq3 s LEU 83 CO 0.00 -0.05 -0.16 -0.76 -1.32 0.00 0.00 176.35 174.07 2oq3 s LEU 84 N -1.13 2.61 0.16 -0.68 2.01 0.34 -0.80 118.68 121.19 2oq3 s LEU 84 Ca -0.02 -0.30 -0.10 0.00 0.01 0.00 0.00 54.13 53.71 2oq3 s LEU 84 Cb -0.08 -1.54 0.03 0.00 0.01 0.00 0.00 46.19 44.61 2oq3 s LEU 84 CO 0.01 0.26 1.59 -0.33 1.01 0.00 0.00 176.35 178.89 2oq3 h GLU 85 N 5.95 1.00 -3.72 1.70 4.39 -0.92 -3.38 114.58 119.60 2oq3 h GLU 85 Ca -0.36 -0.36 -0.63 0.00 0.34 0.00 0.00 59.36 58.34 2oq3 h GLU 85 Cb 1.18 -0.07 -0.40 0.00 -0.10 0.00 0.00 28.75 29.36 2oq3 h GLU 85 CO 0.52 1.04 -0.69 -0.65 -1.16 0.00 0.00 179.01 178.07 2oq3 s GLN 86 N -4.87 1.57 0.96 2.33 -0.21 -1.08 -5.04 119.66 113.32 2oq3 s GLN 86 Ca -0.12 -2.13 -0.13 0.00 0.02 0.00 0.00 55.36 53.01 2oq3 s GLN 86 Cb 0.12 -2.96 0.07 0.00 1.00 0.00 0.00 33.01 31.24 2oq3 s GLN 86 CO 0.86 -1.06 0.52 0.41 -2.12 0.00 0.00 175.29 173.90 2oq3 n GLY 87 N 3.71 -1.76 3.31 3.09 0.00 -1.26 -4.29 105.19 107.99 2oq3 n GLY 87 Ca 0.05 -0.76 -0.25 0.00 0.00 0.00 0.00 46.02 45.05 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 -2.43 1.86 -0.33 1.61 1.01 -0.75 -4.83 120.40 116.54 2oq3 s VAL 88 Ca 0.59 -1.59 -0.04 0.00 0.00 0.00 0.00 61.98 60.94 2oq3 s VAL 88 Cb -0.21 -1.67 0.05 0.00 0.00 0.00 0.00 36.38 34.55 2oq3 s VAL 88 CO 0.66 -0.01 0.07 -0.47 0.00 0.00 0.00 175.10 175.35 2oq3 s TYR 89 N -1.13 3.30 0.67 5.22 6.14 -1.26 -0.34 117.35 129.95 2oq3 s TYR 89 Ca 0.08 -1.75 -0.17 0.00 0.64 0.00 0.00 57.07 55.88 2oq3 s TYR 89 Cb -0.10 -2.33 0.01 0.00 0.42 0.00 0.00 41.96 39.95 2oq3 s TYR 89 CO 0.05 -0.80 1.21 -0.06 0.64 0.00 0.00 175.55 176.59 2oq3 s PHE 90 N 1.30 2.22 0.00 4.97 0.08 -1.26 -4.84 117.98 120.45 2oq3 s PHE 90 Ca -0.02 1.56 -0.04 0.00 0.12 0.00 0.00 56.93 58.54 2oq3 s PHE 90 Cb -0.20 -3.47 -0.19 0.00 -0.57 0.00 0.00 43.02 38.59 2oq3 s PHE 90 CO 0.00 -2.43 2.72 -0.35 -0.10 0.00 0.00 175.22 175.07 2oq3 n PRO 91 N -2.24 1.42 0.00 0.24 -0.04 -1.26 -3.81 135.00 129.31 2oq3 n PRO 91 Ca 0.13 -0.70 0.00 0.00 -0.04 0.00 0.00 63.50 62.89 2oq3 n PRO 91 Cb 0.50 -1.84 0.00 0.00 -0.04 0.00 0.00 33.50 32.12 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 2.61 -0.22 3.28 0.55 0.00 -1.26 -4.57 105.19 105.57 2oq3 n GLY 92 Ca 0.30 0.10 -0.16 0.00 0.00 0.00 0.00 46.02 46.26 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 0.97 0.21 1.61 3.84 -1.25 -4.43 114.94 115.89 2oq3 s ASN 93 Ca 0.00 -1.48 0.05 0.00 0.21 0.00 0.00 52.86 51.65 2oq3 s ASN 93 Cb 0.00 0.35 0.16 0.00 -0.55 0.00 0.00 41.25 41.21 2oq3 s ASN 93 CO 0.00 -0.85 1.50 -0.78 -2.79 0.00 0.00 177.10 174.17 2oq3 h ASP 94 N 2.39 0.18 -5.22 -4.21 3.58 -1.96 -3.48 116.42 107.71 2oq3 h ASP 94 Ca -0.35 -0.12 -0.07 0.00 0.42 0.00 0.00 57.03 56.91 2oq3 h ASP 94 Cb 1.25 -0.05 -0.11 0.00 1.72 0.00 0.00 39.33 42.14 2oq3 h ASP 94 CO 0.53 0.84 -0.16 -1.83 -2.88 0.00 0.00 179.24 175.74 2oq3 s GLU 95 N -3.48 1.37 0.22 0.28 -1.05 -1.26 -5.06 118.70 109.72 2oq3 s GLU 95 Ca -0.03 -1.13 -0.32 0.00 -0.15 0.00 0.00 54.97 53.34 2oq3 s GLU 95 Cb 0.11 0.45 -0.14 0.00 -0.44 0.00 0.00 34.13 34.11 2oq3 s GLU 95 CO 0.80 -0.55 1.40 -2.30 0.95 0.00 0.00 175.26 175.55 2oq3 n PRO 96 N -0.31 1.92 -2.35 -4.83 -0.02 -1.26 -4.34 135.00 123.81 2oq3 n PRO 96 Ca -0.06 0.69 -0.42 0.00 -2.02 0.00 0.00 63.50 61.69 2oq3 n PRO 96 Cb 0.62 -2.34 -0.03 0.00 -0.02 0.00 0.00 33.50 31.74 2oq3 n PRO 96 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2oq3 s ILE 97 N 0.05 3.87 -0.36 4.25 -1.09 0.54 -4.38 121.20 124.07 2oq3 s ILE 97 Ca 0.70 1.32 0.16 0.00 -2.23 0.00 0.00 60.65 60.60 2oq3 s ILE 97 Cb -0.68 -3.84 -0.22 0.00 -1.58 0.00 0.00 42.46 36.13 2oq3 s ILE 97 CO 0.49 0.07 0.51 0.29 -1.23 0.00 0.00 174.94 175.07 2oq3 n LYS 98 N 4.34 1.04 -3.78 2.79 5.02 -0.61 -1.81 118.16 125.15 2oq3 n LYS 98 Ca 0.10 -0.08 -0.14 0.00 -2.02 0.00 0.00 58.31 56.17 2oq3 n LYS 98 Cb 0.45 -1.33 -0.15 0.00 -0.02 0.00 0.00 35.03 33.97 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 -3.51 1.15 -0.02 -0.35 2.96 -1.05 -0.50 118.68 117.35 2oq3 s LEU 99 Ca -0.00 0.11 0.01 0.00 -0.22 0.00 0.00 54.13 54.02 2oq3 s LEU 99 Cb 0.11 0.08 0.02 0.00 0.50 0.00 0.00 46.19 46.90 2oq3 s LEU 99 CO 0.68 -0.11 -0.01 -0.76 -1.32 0.00 0.00 176.35 174.83 2oq3 s LEU 100 N 0.88 1.40 -0.24 -0.68 1.02 -0.42 -1.41 118.68 119.22 2oq3 s LEU 100 Ca -0.07 -0.04 -0.03 0.00 0.02 0.00 0.00 54.13 54.00 2oq3 s LEU 100 Cb -0.10 -0.22 0.01 0.00 0.02 0.00 0.00 46.19 45.90 2oq3 s LEU 100 CO -0.03 -0.06 -0.04 -0.63 0.02 0.00 0.00 176.35 175.61 2oq3 s ILE 101 N 0.73 3.22 0.43 -0.59 1.01 -1.03 -0.60 121.20 124.37 2oq3 s ILE 101 Ca -0.07 -0.76 -0.23 0.00 0.00 0.00 0.00 60.65 59.59 2oq3 s ILE 101 Cb -0.11 -2.57 -0.09 0.00 0.01 0.00 0.00 42.46 39.71 2oq3 s ILE 101 CO -0.01 0.28 1.04 -0.83 0.00 0.00 0.00 174.94 175.42 2oq3 s GLY 102 N 1.41 2.65 -0.03 6.18 0.00 0.43 -2.48 107.32 115.47 2oq3 s GLY 102 Ca 0.03 0.65 -0.02 0.00 0.00 0.00 0.00 44.72 45.38 2oq3 s GLY 102 CO -0.03 1.04 0.07 -2.27 0.00 0.00 0.00 173.10 171.91 2oq3 s LEU 103 N -2.92 1.62 0.00 0.66 0.20 -0.76 -1.38 118.68 116.10 2oq3 s LEU 103 Ca 0.61 0.15 -0.01 0.00 0.69 0.00 0.00 54.13 55.56 2oq3 s LEU 103 Cb -0.19 0.23 -0.01 0.00 -0.43 0.00 0.00 46.19 45.79 2oq3 s LEU 103 CO 0.24 -0.04 0.01 -0.44 -0.29 0.00 0.00 176.35 175.84 2oq3 s SER 104 N 0.19 0.07 -0.06 3.68 0.01 -0.15 -4.21 113.70 113.22 2oq3 s SER 104 Ca -0.01 -0.15 -0.05 0.00 1.31 0.00 0.00 55.95 57.05 2oq3 s SER 104 Cb -0.02 0.08 0.02 0.00 0.21 0.00 0.00 66.02 66.31 2oq3 s SER 104 CO -0.01 -0.13 0.16 0.00 0.41 0.00 0.00 173.24 173.67 2oq3 s ALA 105 N -0.57 -0.36 -0.03 1.44 0.00 -1.25 -0.77 121.76 120.21 2oq3 s ALA 105 Ca -0.06 0.53 0.26 0.00 0.00 0.00 0.00 51.96 52.68 2oq3 s ALA 105 Cb -0.04 -0.33 0.83 0.00 0.00 0.00 0.00 23.12 23.58 2oq3 s ALA 105 CO -0.00 -0.10 1.78 0.00 0.00 0.00 0.00 175.76 177.44 2oq3 h ALA 106 N 6.31 0.97 -2.57 0.00 0.00 -1.86 -3.39 119.26 118.73 2oq3 h ALA 106 Ca -0.30 -0.13 -0.11 0.00 0.00 0.00 0.00 54.91 54.37 2oq3 h ALA 106 Cb 1.18 -0.02 -0.17 0.00 0.00 0.00 0.00 17.79 18.78 2oq3 h ALA 106 CO 0.41 0.18 -0.41 0.34 0.00 0.00 0.00 179.25 179.77 2oq3 s ASP 107 N -6.08 0.07 0.39 0.00 2.15 -1.26 -4.92 116.67 107.02 2oq3 s ASP 107 Ca 0.02 -0.43 0.06 0.00 0.43 0.00 0.00 52.55 52.63 2oq3 s ASP 107 Cb 0.08 0.29 0.79 0.00 -0.30 0.00 0.00 42.92 43.78 2oq3 s ASP 107 CO 0.63 -0.57 2.02 0.00 -0.17 0.00 0.00 175.17 177.08 2oq3 h ALA 108 N 3.39 1.63 -0.01 3.66 0.00 -1.99 0.13 119.26 126.06 2oq3 h ALA 108 Ca -0.32 -0.06 -0.17 0.00 0.00 0.00 0.00 54.91 54.36 2oq3 h ALA 108 Cb 1.19 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.79 2oq3 h ALA 108 CO 0.50 0.32 -0.76 0.22 0.00 0.00 0.00 179.25 179.53 2oq3 h ASP 109 N 0.59 0.15 -0.66 0.00 3.58 -1.98 -0.84 116.42 117.25 2oq3 h ASP 109 Ca 0.15 -0.11 -0.07 0.00 0.42 0.00 0.00 57.03 57.43 2oq3 h ASP 109 Cb -0.00 -0.04 -0.03 0.00 1.72 0.00 0.00 39.33 40.97 2oq3 h ASP 109 CO -0.03 0.85 0.16 0.28 -2.88 0.00 0.00 179.24 177.62 2oq3 h SER 110 N 0.08 1.02 -0.17 2.28 0.02 -1.77 -0.37 113.55 114.63 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 1.33 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 63.59 2oq3 h SER 110 CO 0.11 0.98 0.06 -0.74 -1.14 0.00 0.00 176.83 176.11 2oq3 h HIS 111 N 1.02 0.12 0.05 3.45 -0.00 -0.71 -1.10 115.15 117.98 2oq3 h HIS 111 Ca 0.21 0.01 0.02 0.00 -0.00 0.00 0.00 60.37 60.61 2oq3 h HIS 111 Cb 0.37 -0.03 -0.03 0.00 -0.00 0.00 0.00 27.41 27.72 2oq3 h HIS 111 CO 0.03 0.06 -0.19 0.82 -0.00 0.00 0.00 177.93 178.65 2oq3 h ILE 112 N 0.15 0.56 -0.95 6.26 1.08 -0.84 0.62 117.51 124.38 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 0.56 -0.05 0.00 -3.07 0.00 0.00 36.82 34.29 2oq3 h ILE 112 CO -0.07 0.00 0.63 1.23 -0.69 0.00 0.00 178.15 179.25 2oq3 h GLY 113 N -0.33 1.36 0.56 5.37 0.00 -0.90 0.27 103.07 109.40 2oq3 h GLY 113 Ca 0.04 -0.48 -0.01 0.00 0.00 0.00 0.00 47.33 46.88 2oq3 h GLY 113 CO -0.14 0.44 -0.10 0.00 0.00 0.00 0.00 176.54 176.74 2oq3 h ALA 114 N 1.43 -0.27 -0.63 3.60 0.00 -0.84 -2.71 119.26 119.85 2oq3 h ALA 114 Ca 0.37 -0.20 0.13 0.00 0.00 0.00 0.00 54.91 55.20 2oq3 h ALA 114 Cb -0.05 0.10 -0.10 0.00 0.00 0.00 0.00 17.79 17.74 2oq3 h ALA 114 CO -0.10 -0.43 0.05 0.82 0.00 0.00 0.00 179.25 179.59 2oq3 h ILE 115 N -0.71 0.53 0.00 0.00 1.08 -0.68 0.54 117.51 118.27 2oq3 h ILE 115 Ca -0.03 -0.06 0.00 0.00 -0.39 0.00 0.00 64.86 64.39 2oq3 h ILE 115 Cb 0.49 0.35 0.00 0.00 -3.07 0.00 0.00 36.82 34.59 2oq3 h ILE 115 CO 0.04 0.03 0.00 0.00 -0.69 0.00 0.00 178.15 177.54 2oq3 n GLN 116 N -5.23 0.04 -0.10 2.37 1.13 0.07 -0.64 117.38 115.01 2oq3 n GLN 116 Ca 0.10 0.34 -0.23 0.00 -1.94 0.00 0.00 57.00 55.26 2oq3 n GLN 116 Cb 0.36 -1.58 -0.12 0.00 0.11 0.00 0.00 30.24 29.02 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 -1.56 0.91 0.24 -1.58 0.00 0.02 -4.40 120.51 114.15 2oq3 n ALA 117 Ca 0.02 -0.65 0.13 0.00 0.00 0.00 0.00 53.44 52.94 2oq3 n ALA 117 Cb 0.14 -0.42 0.56 0.00 0.00 0.00 0.00 19.45 19.74 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 -0.82 0.00 -2.25 0.00 8.10 -0.50 -1.35 115.31 118.49 2oq3 h LEU 118 Ca -0.44 0.00 -0.01 0.00 0.11 0.00 0.00 57.88 57.54 2oq3 h LEU 118 Cb 1.49 0.00 -0.00 0.00 -0.44 0.00 0.00 40.66 41.71 2oq3 h LEU 118 CO -0.21 0.14 -0.05 0.28 -4.11 0.00 0.00 178.44 174.49 2oq3 h SER 119 N 0.00 0.00 0.60 0.17 0.02 -1.09 0.15 113.55 113.40 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 0.02 0.05 0.00 -0.33 -1.14 0.00 0.00 176.83 175.43 2oq3 h GLU 120 N 0.00 0.00 0.00 3.45 4.39 -1.45 -2.65 114.58 118.32 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 0.20 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.85 2oq3 h GLU 120 CO 0.01 0.00 -0.48 1.28 -1.16 0.00 0.00 179.01 178.65 2oq3 n LEU 121 N -2.68 1.31 0.00 1.33 4.77 -0.11 -4.55 117.00 117.07 2oq3 n LEU 121 Ca 0.00 0.21 0.07 0.00 -0.03 0.00 0.00 56.01 56.26 2oq3 n LEU 121 Cb 0.20 -0.53 0.32 0.00 -2.33 0.00 0.00 43.42 41.08 2oq3 n LEU 121 CO 0.21 -0.47 0.71 0.18 -1.33 0.00 0.00 177.39 176.69 2oq3 n LEU 122 N -3.78 0.00 -0.48 2.23 4.77 0.35 -1.98 117.00 118.11 2oq3 n LEU 122 Ca -0.07 0.43 0.07 0.00 -0.03 0.00 0.00 56.01 56.41 2oq3 n LEU 122 Cb 0.25 -0.43 0.19 0.00 -2.33 0.00 0.00 43.42 41.10 2oq3 n LEU 122 CO 0.10 -0.22 0.41 0.00 -1.33 0.00 0.00 177.39 176.35 2oq3 s GLU 124 N -3.14 0.78 0.56 0.00 0.41 -0.84 -4.97 118.70 111.51 2oq3 s GLU 124 Ca 0.37 -1.03 0.25 0.00 -0.41 0.00 0.00 54.97 54.15 2oq3 s GLU 124 Cb 0.35 -2.08 1.52 0.00 -1.78 0.00 0.00 34.13 32.14 2oq3 s GLU 124 CO -0.05 -0.93 2.08 1.05 -0.49 0.00 0.00 175.26 176.93 2oq3 h GLU 125 N 8.08 0.00 -0.12 1.61 4.11 -1.91 0.49 114.58 126.84 2oq3 h GLU 125 Ca -0.14 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.29 2oq3 h GLU 125 Cb 1.03 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.27 2oq3 h GLU 125 CO 0.46 0.00 0.05 0.93 0.07 0.00 0.00 179.01 180.52 2oq3 h GLU 126 N 0.00 0.18 -0.37 1.06 4.39 -1.95 -2.32 114.58 115.57 2oq3 h GLU 126 Ca 0.12 -0.03 -0.08 0.00 0.34 0.00 0.00 59.36 59.71 2oq3 h GLU 126 Cb 0.54 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.15 2oq3 h GLU 126 CO -0.00 0.28 -0.08 0.82 -1.16 0.00 0.00 179.01 178.87 2oq3 h ILE 127 N 0.04 1.28 -0.75 3.13 5.03 -1.45 -3.09 117.51 121.68 2oq3 h ILE 127 Ca 0.04 -1.14 0.08 0.00 -0.12 0.00 0.00 64.86 63.72 2oq3 h ILE 127 Cb 0.16 1.26 -0.07 0.00 -3.03 0.00 0.00 36.82 35.15 2oq3 h ILE 127 CO -0.00 0.38 0.42 -0.07 -0.68 0.00 0.00 178.15 178.19 2oq3 h LEU 128 N 0.51 0.60 -0.65 1.44 3.38 -0.76 0.27 115.31 120.10 2oq3 h LEU 128 Ca 0.09 0.04 -0.11 0.00 0.09 0.00 0.00 57.88 58.00 2oq3 h LEU 128 Cb 0.59 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.24 2oq3 h LEU 128 CO 0.03 0.36 -0.11 -0.33 0.09 0.00 0.00 178.44 178.48 2oq3 h GLU 129 N 0.73 0.94 -0.15 1.13 5.08 -1.46 0.15 114.58 121.01 2oq3 h GLU 129 Ca 0.35 -0.34 -0.15 0.00 -1.00 0.00 0.00 59.36 58.23 2oq3 h GLU 129 Cb 0.29 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 2oq3 h GLU 129 CO -0.23 1.00 -0.53 1.96 -1.00 0.00 0.00 179.01 180.21 2oq3 h GLN 130 N 0.84 0.42 0.27 2.33 4.20 -1.05 -0.59 115.11 121.53 2oq3 h GLN 130 Ca 0.13 -0.26 -0.01 0.00 0.06 0.00 0.00 58.65 58.57 2oq3 h GLN 130 Cb 0.65 0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.46 2oq3 h GLN 130 CO 0.05 0.85 -0.13 -0.07 -0.67 0.00 0.00 178.83 178.86 2oq3 h LEU 131 N 0.33 -0.30 -2.31 1.46 3.38 -0.93 -2.75 115.31 114.18 2oq3 h LEU 131 Ca 0.01 -0.21 0.04 0.00 0.09 0.00 0.00 57.88 57.80 2oq3 h LEU 131 Cb 1.04 0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.87 2oq3 h LEU 131 CO 0.09 0.09 0.20 -0.07 0.09 0.00 0.00 178.44 178.84 2oq3 h LEU 132 N -0.76 0.00 -2.26 1.67 3.38 -0.41 -0.66 115.31 116.27 2oq3 h LEU 132 Ca -0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.93 2oq3 h LEU 132 Cb 0.50 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.25 2oq3 h LEU 132 CO 0.06 0.00 0.00 0.35 0.09 0.00 0.00 178.44 178.94 2oq3 n THR 133 N -3.51 0.56 -1.73 0.22 -2.24 -0.25 -4.98 114.28 102.35 2oq3 n THR 133 Ca 0.00 -0.78 -0.41 0.00 -2.27 0.00 0.00 64.05 60.59 2oq3 n THR 133 Cb 0.30 0.83 -0.03 0.00 -2.10 0.00 0.00 70.33 69.34 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 -1.02 2.41 -1.81 6.98 0.00 -0.26 -4.85 121.76 123.21 2oq3 s ALA 134 Ca 0.21 0.31 0.24 0.00 0.00 0.00 0.00 51.96 52.72 2oq3 s ALA 134 Cb 0.12 -4.16 1.39 0.00 0.00 0.00 0.00 23.12 20.48 2oq3 s ALA 134 CO 0.17 -3.31 1.82 -1.13 0.00 0.00 0.00 175.76 173.31 2oq3 n SER 135 N 12.59 0.00 -3.76 0.00 3.41 -1.26 -4.84 113.62 119.76 2oq3 n SER 135 Ca 0.29 -0.54 -0.11 0.00 -0.26 0.00 0.00 58.87 58.25 2oq3 n SER 135 Cb 0.49 -0.09 -0.07 0.00 -0.26 0.00 0.00 64.21 64.27 2oq3 n SER 135 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2oq3 s SER 136 N -2.19 -0.11 0.28 4.04 1.04 -1.26 -5.04 113.70 110.46 2oq3 s SER 136 Ca 0.32 -0.23 -0.03 0.00 0.48 0.00 0.00 55.95 56.50 2oq3 s SER 136 Cb 0.17 0.36 0.40 0.00 0.10 0.00 0.00 66.02 67.05 2oq3 s SER 136 CO 0.31 -0.63 1.92 -0.08 0.98 0.00 0.00 173.24 175.74 2oq3 h GLU 137 N 3.17 1.15 -0.40 4.02 4.81 -1.93 -2.60 114.58 122.80 2oq3 h GLU 137 Ca -0.32 -0.07 -0.01 0.00 -0.13 0.00 0.00 59.36 58.83 2oq3 h GLU 137 Cb 1.20 -0.26 -0.02 0.00 0.63 0.00 0.00 28.75 30.30 2oq3 h GLU 137 CO 0.47 0.76 0.19 1.57 -0.73 0.00 0.00 179.01 181.27 2oq3 h LYS 138 N 1.18 0.55 -0.47 1.92 5.09 -1.98 -1.10 116.57 121.75 2oq3 h LYS 138 Ca 0.38 -0.06 -0.03 0.00 0.09 0.00 0.00 60.65 61.03 2oq3 h LYS 138 Cb 0.03 -0.11 -0.02 0.00 0.10 0.00 0.00 32.23 32.22 2oq3 h LYS 138 CO -0.12 0.43 0.19 1.96 -2.09 0.00 0.00 179.45 179.82 2oq3 h GLN 139 N 0.55 0.71 -0.07 0.07 4.20 -1.86 0.19 115.11 118.89 2oq3 h GLN 139 Ca 0.14 -0.13 -0.00 0.00 0.06 0.00 0.00 58.65 58.72 2oq3 h GLN 139 Cb 0.06 -0.12 -0.00 0.00 0.30 0.00 0.00 27.48 27.72 2oq3 h GLN 139 CO -0.02 0.63 0.03 -0.07 -0.67 0.00 0.00 178.83 178.73 2oq3 h LEU 140 N 0.62 0.10 -1.49 1.46 3.38 -1.26 -1.81 115.31 116.31 2oq3 h LEU 140 Ca 0.16 -0.18 0.04 0.00 0.09 0.00 0.00 57.88 57.99 2oq3 h LEU 140 Cb 0.19 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 40.88 2oq3 h LEU 140 CO -0.01 0.25 0.39 0.00 0.09 0.00 0.00 178.44 179.16 2oq3 h ALA 141 N 0.85 1.73 -0.40 1.53 0.00 -1.18 -1.72 119.26 120.06 2oq3 h ALA 141 Ca 0.02 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 2oq3 h ALA 141 Cb 0.18 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 2oq3 h ALA 141 CO -0.00 0.20 -0.04 0.22 0.00 0.00 0.00 179.25 179.63 2oq3 h ASP 142 N 0.65 0.73 -0.14 0.00 3.58 -0.18 -0.02 116.42 121.04 2oq3 h ASP 142 Ca 0.24 -0.33 -0.09 0.00 0.42 0.00 0.00 57.03 57.27 2oq3 h ASP 142 Cb 0.14 -0.20 -0.02 0.00 1.72 0.00 0.00 39.33 40.98 2oq3 h ASP 142 CO -0.07 0.89 -0.19 0.40 -2.88 0.00 0.00 179.24 177.39 2oq3 h ILE 143 N 0.56 1.26 0.22 2.25 2.04 -0.99 -0.06 117.51 122.79 2oq3 h ILE 143 Ca 0.11 -1.19 -0.00 0.00 1.00 0.00 0.00 64.86 64.77 2oq3 h ILE 143 Cb 0.54 1.24 -0.01 0.00 -0.74 0.00 0.00 36.82 37.85 2oq3 h ILE 143 CO 0.03 0.39 -0.17 0.40 0.00 0.00 0.00 178.15 178.80 2oq3 h ILE 144 N 0.49 0.64 0.00 -0.67 1.08 -1.11 -3.10 117.51 114.83 2oq3 h ILE 144 Ca 0.08 0.00 -0.03 0.00 -0.39 0.00 0.00 64.86 64.52 2oq3 h ILE 144 Cb 0.61 0.64 -0.00 0.00 -3.07 0.00 0.00 36.82 35.00 2oq3 h ILE 144 CO 0.04 0.00 -0.13 0.28 -0.69 0.00 0.00 178.15 177.65 2oq3 h SER 145 N -0.40 0.00 0.00 1.72 0.02 -0.06 -1.12 113.55 113.72 2oq3 h SER 145 Ca -0.01 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.94 2oq3 h SER 145 Cb 0.35 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.89 2oq3 h SER 145 CO -0.01 0.13 -0.00 -0.09 -1.14 0.00 0.00 176.83 175.72 2oq3 h ARG 146 N 0.00 0.00 0.00 3.45 2.43 -0.97 -3.47 114.38 115.83 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 0.25 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.80 2oq3 h ARG 146 CO 0.02 0.00 0.00 0.41 -1.51 0.00 0.00 179.97 178.89