#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 3.70 0.39 3.17 1.81 -1.26 -4.86 118.95 121.90 2oq3 s ARG 2 Ca 0.00 1.72 0.06 0.00 -1.72 0.00 0.00 55.73 55.79 2oq3 s ARG 2 Cb 0.00 -4.09 0.78 0.00 -0.45 0.00 0.00 34.95 31.18 2oq3 s ARG 2 CO 0.00 -1.41 2.01 -0.07 -0.68 0.00 0.00 175.30 175.15 2oq3 h LEU 3 N 12.15 0.50 -1.35 2.53 -0.00 -1.77 -2.11 115.31 125.25 2oq3 h LEU 3 Ca -0.35 -0.03 0.00 0.00 -0.00 0.00 0.00 57.88 57.50 2oq3 h LEU 3 Cb 1.17 -0.13 0.00 0.00 -0.00 0.00 0.00 40.66 41.70 2oq3 h LEU 3 CO 1.00 0.41 0.19 0.28 -0.00 0.00 0.00 178.44 180.32 2oq3 h SER 4 N 0.57 0.00 0.20 -0.43 0.02 -1.89 -0.29 113.55 111.73 2oq3 h SER 4 Ca 0.15 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.09 2oq3 h SER 4 Cb 0.03 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.57 2oq3 h SER 4 CO -0.02 0.00 -0.04 -0.78 -1.14 0.00 0.00 176.83 174.85 2oq3 h ASP 5 N 0.00 0.00 0.00 3.07 3.58 -1.75 -3.30 116.42 118.02 2oq3 h ASP 5 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2oq3 h ASP 5 Cb 0.39 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.44 2oq3 h ASP 5 CO 0.00 0.04 -1.59 -1.22 -2.88 0.00 0.00 179.24 173.59 2oq3 n TYR 6 N -3.52 0.00 -3.51 0.28 4.01 -0.12 -4.90 117.16 109.40 2oq3 n TYR 6 Ca -0.02 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.30 2oq3 n TYR 6 Cb 0.15 -0.31 -0.08 0.00 -0.31 0.00 0.00 39.34 38.79 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 -2.97 3.39 0.02 -0.72 0.40 -1.24 -0.03 117.98 116.83 2oq3 s PHE 7 Ca -0.04 -1.74 -0.10 0.00 -0.60 0.00 0.00 56.93 54.45 2oq3 s PHE 7 Cb 0.10 -3.50 -0.05 0.00 0.51 0.00 0.00 43.02 40.07 2oq3 s PHE 7 CO 0.61 -0.99 1.15 -1.00 0.70 0.00 0.00 175.22 175.69 2oq3 h PRO 8 N 8.53 -0.33 0.00 0.24 0.13 -1.88 -3.48 132.00 135.21 2oq3 h PRO 8 Ca -0.23 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.92 2oq3 h PRO 8 Cb 1.08 0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.28 2oq3 h PRO 8 CO 0.88 -0.22 0.00 -1.91 -0.23 0.00 0.00 178.00 176.52 2oq3 n GLU 9 N -2.97 0.00 0.00 0.86 2.13 -1.26 -4.92 120.64 114.49 2oq3 n GLU 9 Ca -0.04 0.00 0.05 0.00 0.66 0.00 0.00 57.16 57.82 2oq3 n GLU 9 Cb 0.14 0.00 0.27 0.00 0.27 0.00 0.00 31.44 32.12 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 -1.96 0.00 0.14 4.31 7.64 -1.26 -3.87 113.62 118.63 2oq3 n SER 10 Ca 0.00 -0.49 0.12 0.00 1.01 0.00 0.00 58.87 59.51 2oq3 n SER 10 Cb 0.00 0.00 0.51 0.00 -1.01 0.00 0.00 64.21 63.71 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 -0.87 0.68 -4.28 6.43 3.41 -1.26 -4.65 113.62 113.07 2oq3 n SER 11 Ca 0.07 0.69 -0.32 0.00 -0.26 0.00 0.00 58.87 59.04 2oq3 n SER 11 Cb 0.03 -0.82 -0.16 0.00 -0.26 0.00 0.00 64.21 63.00 2oq3 n SER 11 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2oq3 s ILE 12 N -3.36 2.43 -0.05 -1.33 1.01 -1.25 -0.30 121.20 118.35 2oq3 s ILE 12 Ca 0.03 -0.89 -0.26 0.00 0.00 0.00 0.00 60.65 59.53 2oq3 s ILE 12 Cb 0.09 -1.96 0.06 0.00 0.01 0.00 0.00 42.46 40.65 2oq3 s ILE 12 CO 0.37 0.55 0.57 -0.44 0.00 0.00 0.00 174.94 175.99 2oq3 s SER 13 N 0.31 -0.53 -0.01 3.58 0.01 -0.61 -4.98 113.70 111.47 2oq3 s SER 13 Ca -0.15 0.57 0.07 0.00 1.31 0.00 0.00 55.95 57.75 2oq3 s SER 13 Cb -0.17 0.52 -0.02 0.00 0.21 0.00 0.00 66.02 66.56 2oq3 s SER 13 CO 0.08 -0.54 -0.22 -0.69 0.41 0.00 0.00 173.24 172.28 2oq3 s VAL 14 N -1.14 2.43 0.02 3.43 1.01 -1.26 -1.72 120.40 123.17 2oq3 s VAL 14 Ca -0.11 -1.06 0.02 0.00 0.00 0.00 0.00 61.98 60.83 2oq3 s VAL 14 Cb -0.02 -1.91 -0.01 0.00 0.00 0.00 0.00 36.38 34.43 2oq3 s VAL 14 CO 0.08 0.52 -0.07 -0.63 0.00 0.00 0.00 175.10 174.99 2oq3 s ILE 15 N -0.72 0.54 0.23 2.22 1.01 0.24 -4.95 121.20 119.78 2oq3 s ILE 15 Ca 0.11 -0.68 -0.02 0.00 0.00 0.00 0.00 60.65 60.06 2oq3 s ILE 15 Cb -0.10 -0.53 0.03 0.00 0.01 0.00 0.00 42.46 41.87 2oq3 s ILE 15 CO 0.01 -0.12 1.64 1.12 0.00 0.00 0.00 174.94 177.59 2oq3 h HIS 16 N 5.23 0.73 -1.02 3.97 2.07 -1.95 0.88 115.15 125.06 2oq3 h HIS 16 Ca -0.32 -0.18 0.24 0.00 -2.85 0.00 0.00 60.37 57.25 2oq3 h HIS 16 Cb 1.19 -0.17 -0.30 0.00 2.57 0.00 0.00 27.41 30.71 2oq3 h HIS 16 CO 0.53 0.85 0.96 -1.54 -3.07 0.00 0.00 177.93 175.66 2oq3 s SER 17 N -6.80 -0.02 0.56 3.10 1.04 -1.26 -2.60 113.70 107.73 2oq3 s SER 17 Ca -0.08 0.02 -0.16 0.00 0.48 0.00 0.00 55.95 56.21 2oq3 s SER 17 Cb 0.13 0.02 -0.05 0.00 0.10 0.00 0.00 66.02 66.22 2oq3 s SER 17 CO 0.82 -0.01 1.04 0.00 0.98 0.00 0.00 173.24 176.07 2oq3 s ALA 18 N -0.66 2.84 0.22 5.32 0.00 -1.26 -4.96 121.76 123.26 2oq3 s ALA 18 Ca 0.09 0.36 -0.08 0.00 0.00 0.00 0.00 51.96 52.33 2oq3 s ALA 18 Cb -0.02 -3.20 0.26 0.00 0.00 0.00 0.00 23.12 20.15 2oq3 s ALA 18 CO -0.11 -0.61 1.84 -0.22 0.00 0.00 0.00 175.76 176.66 2oq3 h LYS 19 N 0.68 0.82 -2.63 0.00 1.63 -1.99 -3.46 116.57 111.62 2oq3 h LYS 19 Ca -0.47 -0.05 0.12 0.00 -0.85 0.00 0.00 60.65 59.40 2oq3 h LYS 19 Cb 1.21 -0.19 -0.03 0.00 -0.60 0.00 0.00 32.23 32.63 2oq3 h LYS 19 CO 0.59 0.54 0.50 0.16 -3.45 0.00 0.00 179.45 177.79 2oq3 s ASP 20 N -5.71 -0.02 0.35 4.20 -4.77 -1.26 -5.00 116.67 104.46 2oq3 s ASP 20 Ca -0.13 -0.76 0.08 0.00 -3.30 0.00 0.00 52.55 48.44 2oq3 s ASP 20 Cb 0.17 0.59 0.77 0.00 -1.09 0.00 0.00 42.92 43.35 2oq3 s ASP 20 CO 0.77 -1.15 1.87 4.11 0.70 0.00 0.00 175.17 181.47 2oq3 h TRP 21 N 2.00 0.86 0.04 2.11 0.09 -1.90 0.14 115.95 119.29 2oq3 h TRP 21 Ca -0.28 0.02 -0.00 0.00 0.09 0.00 0.00 58.89 58.72 2oq3 h TRP 21 Cb 1.23 -0.27 0.00 0.00 0.08 0.00 0.00 29.16 30.19 2oq3 h TRP 21 CO 1.25 0.33 -0.02 1.96 0.09 0.00 0.00 178.44 182.06 2oq3 h GLN 22 N 0.74 -0.05 -0.13 0.12 4.20 -1.96 -2.44 115.11 115.58 2oq3 h GLN 22 Ca 0.44 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.16 2oq3 h GLN 22 Cb 0.65 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.43 2oq3 h GLN 22 CO -0.20 0.07 0.09 1.49 -0.67 0.00 0.00 178.83 179.60 2oq3 h GLU 23 N -0.15 0.18 -0.44 1.46 4.57 -1.70 -0.95 114.58 117.54 2oq3 h GLU 23 Ca -0.01 -0.01 -0.11 0.00 -1.18 0.00 0.00 59.36 58.06 2oq3 h GLU 23 Cb 0.14 -0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 28.67 2oq3 h GLU 23 CO 0.01 0.12 -0.16 0.00 -1.18 0.00 0.00 179.01 177.80 2oq3 h ALA 24 N 1.91 0.88 -0.30 2.92 0.00 -0.37 0.28 119.26 124.59 2oq3 h ALA 24 Ca 0.05 -0.35 -0.04 0.00 0.00 0.00 0.00 54.91 54.56 2oq3 h ALA 24 Cb -0.02 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 2oq3 h ALA 24 CO -0.01 0.63 0.02 0.82 0.00 0.00 0.00 179.25 180.71 2oq3 h ILE 25 N 0.74 1.25 -0.60 0.00 2.04 -0.94 -1.49 117.51 118.51 2oq3 h ILE 25 Ca 0.11 -0.90 0.06 0.00 1.00 0.00 0.00 64.86 65.13 2oq3 h ILE 25 Cb 0.68 1.26 -0.05 0.00 -0.74 0.00 0.00 36.82 37.96 2oq3 h ILE 25 CO 0.05 0.29 0.31 -0.78 0.00 0.00 0.00 178.15 178.02 2oq3 h ASP 26 N 0.31 0.45 0.55 1.72 3.58 -0.40 0.27 116.42 122.90 2oq3 h ASP 26 Ca 0.09 0.03 -0.08 0.00 0.42 0.00 0.00 57.03 57.49 2oq3 h ASP 26 Cb 0.40 -0.05 -0.01 0.00 1.72 0.00 0.00 39.33 41.39 2oq3 h ASP 26 CO 0.01 0.30 -0.39 -0.26 -2.88 0.00 0.00 179.24 176.02 2oq3 h PHE 27 N 0.59 0.00 0.00 0.28 0.04 -0.48 0.31 116.94 117.68 2oq3 h PHE 27 Ca 0.27 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 61.03 2oq3 h PHE 27 Cb 0.18 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.33 2oq3 h PHE 27 CO -0.10 0.39 -0.02 0.77 -0.60 0.00 0.00 178.31 178.75 2oq3 h SER 28 N 0.00 0.00 0.00 2.17 0.02 0.14 -3.35 113.55 112.53 2oq3 h SER 28 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2oq3 h SER 28 Cb 0.77 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.31 2oq3 h SER 28 CO 0.05 0.02 -0.87 0.23 -1.14 0.00 0.00 176.83 175.13 2oq3 n MET 29 N -3.19 1.20 -0.09 3.45 2.81 -0.70 -4.12 117.12 116.46 2oq3 n MET 29 Ca -0.01 0.00 0.04 0.00 -1.81 0.00 0.00 57.70 55.92 2oq3 n MET 29 Cb 0.19 -0.93 0.37 0.00 -0.71 0.00 0.00 33.22 32.14 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 -0.07 2.03 3.04 -0.56 0.03 116.25 121.82 2oq3 h VAL 30 Ca 0.00 -0.24 -0.05 0.00 -1.01 0.00 0.00 66.70 65.40 2oq3 h VAL 30 Cb 0.13 0.34 -0.01 0.00 -2.01 0.00 0.00 31.29 29.74 2oq3 h VAL 30 CO 0.00 0.13 -0.18 0.28 -1.01 0.00 0.00 177.57 176.79 2oq3 h SER 31 N 0.70 0.11 0.06 3.17 0.02 -1.84 0.15 113.55 115.92 2oq3 h SER 31 Ca 0.22 -0.02 -0.20 0.00 -0.84 0.00 0.00 61.79 60.95 2oq3 h SER 31 Cb 0.03 -0.03 0.02 0.00 0.14 0.00 0.00 62.40 62.56 2oq3 h SER 31 CO -0.06 0.30 -0.82 -0.07 -1.14 0.00 0.00 176.83 175.04 2oq3 h LEU 32 N 0.11 0.61 -0.89 5.07 3.38 -1.45 -3.33 115.31 118.81 2oq3 h LEU 32 Ca 0.02 -0.83 0.07 0.00 0.09 0.00 0.00 57.88 57.24 2oq3 h LEU 32 Cb 0.39 -0.19 -0.07 0.00 0.09 0.00 0.00 40.66 40.88 2oq3 h LEU 32 CO 0.03 1.37 0.55 0.25 0.09 0.00 0.00 178.44 180.73 2oq3 h LEU 33 N -0.07 0.85 -1.29 1.67 5.85 -0.26 0.75 115.31 122.81 2oq3 h LEU 33 Ca -0.12 0.02 -0.07 0.00 0.84 0.00 0.00 57.88 58.55 2oq3 h LEU 33 Cb 1.55 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 42.42 2oq3 h LEU 33 CO 0.16 0.53 -0.35 -0.78 -0.34 0.00 0.00 178.44 177.66 2oq3 h ASP 34 N 0.98 0.00 -0.63 1.25 3.58 -0.83 -0.37 116.42 120.40 2oq3 h ASP 34 Ca 0.40 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.85 2oq3 h ASP 34 Cb 0.22 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.27 2oq3 h ASP 34 CO -0.19 0.35 0.00 0.29 -2.88 0.00 0.00 179.24 176.80 2oq3 n LYS 35 N -4.00 4.12 -4.18 0.28 4.76 -1.08 -4.96 118.16 113.10 2oq3 n LYS 35 Ca -0.02 -2.96 -0.31 0.00 -2.87 0.00 0.00 58.31 52.15 2oq3 n LYS 35 Cb 0.40 -2.02 -0.05 0.00 -1.84 0.00 0.00 35.03 31.52 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 0.99 -0.87 0.26 4.39 0.23 -0.15 -4.87 115.26 115.24 2oq3 n ASN 36 Ca 0.27 -1.10 0.16 0.00 -0.53 0.00 0.00 54.58 53.37 2oq3 n ASN 36 Cb 0.99 -2.45 0.55 0.00 -2.08 0.00 0.00 39.78 36.79 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 -1.65 0.00 -4.49 -2.53 0.05 -1.07 -3.41 116.97 103.88 2oq3 h TYR 37 Ca -0.63 0.00 -0.27 0.00 0.05 0.00 0.00 58.73 57.88 2oq3 h TYR 37 Cb 1.39 0.00 -0.13 0.00 1.01 0.00 0.00 36.73 38.99 2oq3 h TYR 37 CO 0.56 0.00 -0.48 0.96 -1.05 0.00 0.00 178.16 178.14 2oq3 s ILE 38 N -3.55 0.00 0.24 -2.88 -4.36 -1.25 -0.63 121.20 108.77 2oq3 s ILE 38 Ca 0.03 -1.88 0.08 0.00 -0.26 0.00 0.00 60.65 58.61 2oq3 s ILE 38 Cb 0.08 -2.48 -0.04 0.00 1.25 0.00 0.00 42.46 41.27 2oq3 s ILE 38 CO 0.57 0.00 0.12 -0.44 0.24 0.00 0.00 174.94 175.43 2oq3 s SER 39 N -3.20 5.19 0.41 4.36 0.01 0.04 -4.70 113.70 115.80 2oq3 s SER 39 Ca 0.36 -0.36 0.07 0.00 1.31 0.00 0.00 55.95 57.34 2oq3 s SER 39 Cb 0.04 -1.22 0.85 0.00 0.21 0.00 0.00 66.02 65.90 2oq3 s SER 39 CO 0.16 -0.01 2.03 -0.33 0.41 0.00 0.00 173.24 175.51 2oq3 h GLU 40 N 1.80 0.48 0.00 12.44 5.08 -1.95 -1.06 114.58 131.37 2oq3 h GLU 40 Ca -0.47 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 57.83 2oq3 h GLU 40 Cb 1.23 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 30.38 2oq3 h GLU 40 CO 0.61 0.36 -0.07 -2.95 -1.00 0.00 0.00 179.01 175.96 2oq3 h ASN 41 N 0.49 0.00 -0.34 1.42 -1.07 -1.94 -2.03 115.58 112.12 2oq3 h ASN 41 Ca 0.13 0.00 -0.02 0.00 0.07 0.00 0.00 56.30 56.48 2oq3 h ASN 41 Cb 0.01 0.00 -0.01 0.00 -2.07 0.00 0.00 38.32 36.25 2oq3 h ASN 41 CO -0.02 0.07 0.13 0.22 0.07 0.00 0.00 177.43 177.90 2oq3 h TYR 42 N 0.00 0.52 0.12 4.14 3.20 -0.89 -1.59 116.97 122.47 2oq3 h TYR 42 Ca -0.00 -0.04 -0.01 0.00 3.14 0.00 0.00 58.73 61.82 2oq3 h TYR 42 Cb 0.17 -0.16 0.00 0.00 1.54 0.00 0.00 36.73 38.28 2oq3 h TYR 42 CO 0.00 0.49 -0.06 0.82 -1.64 0.00 0.00 178.16 177.77 2oq3 h ILE 43 N 0.40 0.87 0.00 1.81 2.04 -1.44 -2.84 117.51 118.35 2oq3 h ILE 43 Ca 0.11 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.93 2oq3 h ILE 43 Cb 0.19 0.87 -0.01 0.00 -0.74 0.00 0.00 36.82 37.13 2oq3 h ILE 43 CO -0.01 0.00 -0.20 -0.61 0.00 0.00 0.00 178.15 177.33 2oq3 h GLN 44 N -0.17 0.00 -0.79 2.37 5.75 -1.34 -1.92 115.11 119.01 2oq3 h GLN 44 Ca -0.02 0.00 0.05 0.00 -0.15 0.00 0.00 58.65 58.54 2oq3 h GLN 44 Cb 0.13 0.00 -0.06 0.00 1.07 0.00 0.00 27.48 28.63 2oq3 h GLN 44 CO 0.02 0.20 0.48 0.00 -2.65 0.00 0.00 178.83 176.88 2oq3 h ALA 45 N 1.80 1.06 -0.03 3.38 0.00 -1.03 0.48 119.26 124.92 2oq3 h ALA 45 Ca -0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 2oq3 h ALA 45 Cb 0.59 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 2oq3 h ALA 45 CO 0.03 0.23 -0.03 0.82 0.00 0.00 0.00 179.25 180.29 2oq3 h ILE 46 N 0.90 1.38 -0.79 0.00 2.04 -1.35 -3.09 117.51 116.59 2oq3 h ILE 46 Ca 0.34 -1.19 0.01 0.00 1.00 0.00 0.00 64.86 65.02 2oq3 h ILE 46 Cb 0.13 2.12 -0.04 0.00 -0.74 0.00 0.00 36.82 38.29 2oq3 h ILE 46 CO -0.16 0.32 0.52 0.11 0.00 0.00 0.00 178.15 178.95 2oq3 h LYS 47 N -0.39 1.03 -0.19 2.37 1.57 -1.16 -1.43 116.57 118.37 2oq3 h LYS 47 Ca 0.00 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 2oq3 h LYS 47 Cb 0.53 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.60 2oq3 h LYS 47 CO 0.01 0.68 0.12 0.22 -0.57 0.00 0.00 179.45 179.91 2oq3 h ASP 48 N 1.06 0.22 -0.57 0.86 3.58 -0.93 1.00 116.42 121.64 2oq3 h ASP 48 Ca 0.29 -0.03 -0.02 0.00 0.42 0.00 0.00 57.03 57.70 2oq3 h ASP 48 Cb -0.11 -0.06 -0.03 0.00 1.72 0.00 0.00 39.33 40.86 2oq3 h ASP 48 CO -0.07 0.18 0.26 0.28 -2.88 0.00 0.00 179.24 177.02 2oq3 h SER 49 N 0.24 0.75 -0.84 2.28 0.02 -1.43 -0.52 113.55 114.06 2oq3 h SER 49 Ca 0.07 -0.14 0.03 0.00 -0.84 0.00 0.00 61.79 60.91 2oq3 h SER 49 Cb -0.00 -0.19 -0.05 0.00 0.14 0.00 0.00 62.40 62.29 2oq3 h SER 49 CO -0.01 0.68 0.54 0.74 -1.14 0.00 0.00 176.83 177.64 2oq3 h THR 50 N 0.77 1.15 -0.35 -2.27 2.02 -0.75 -2.29 112.91 111.20 2oq3 h THR 50 Ca 0.19 -0.37 -0.14 0.00 0.77 0.00 0.00 66.41 66.87 2oq3 h THR 50 Cb 0.13 -0.01 -0.01 0.00 -1.74 0.00 0.00 68.15 66.52 2oq3 h THR 50 CO -0.02 0.20 -0.32 0.40 0.37 0.00 0.00 175.52 176.14 2oq3 h ILE 51 N 1.07 1.28 -0.37 3.11 2.04 -0.56 -2.52 117.51 121.56 2oq3 h ILE 51 Ca 0.33 -1.49 -0.03 0.00 1.00 0.00 0.00 64.86 64.68 2oq3 h ILE 51 Cb -0.02 1.45 -0.02 0.00 -0.74 0.00 0.00 36.82 37.49 2oq3 h ILE 51 CO -0.10 0.49 0.11 0.78 0.00 0.00 0.00 178.15 179.42 2oq3 h ASN 52 N 0.62 0.49 0.00 1.72 2.35 -0.52 -3.42 115.58 116.83 2oq3 h ASN 52 Ca 0.06 -0.06 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2oq3 h ASN 52 Cb 0.90 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 39.14 2oq3 h ASN 52 CO 0.08 0.49 0.00 -3.20 -1.65 0.00 0.00 177.43 173.15 2oq3 n ASN 53 N -4.35 -0.67 0.00 5.81 5.15 -1.08 -5.10 115.26 115.02 2oq3 n ASN 53 Ca 0.02 0.21 0.00 0.00 -0.60 0.00 0.00 54.58 54.22 2oq3 n ASN 53 Cb 0.17 0.83 0.00 0.00 -0.53 0.00 0.00 39.78 40.25 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 0.05 0.60 3.47 8.20 0.00 -0.95 -4.47 105.19 112.09 2oq3 n GLY 54 Ca 0.00 -1.17 -0.37 0.00 0.00 0.00 0.00 46.02 44.48 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 -0.89 0.40 -0.01 1.61 -0.02 -1.26 -3.84 135.00 130.98 2oq3 n PRO 55 Ca 0.00 0.17 0.01 0.00 -2.02 0.00 0.00 63.50 61.66 2oq3 n PRO 55 Cb 0.00 -1.78 0.02 0.00 -0.02 0.00 0.00 33.50 31.72 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 -2.09 0.03 -3.19 6.00 4.02 -1.26 -4.85 117.16 115.82 2oq3 n TYR 56 Ca 0.11 -0.20 -0.22 0.00 -0.01 0.00 0.00 57.90 57.58 2oq3 n TYR 56 Cb 0.49 -0.02 -0.06 0.00 -0.02 0.00 0.00 39.34 39.73 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 -0.06 -0.11 -5.16 -0.72 4.01 -1.26 -5.07 117.16 108.80 2oq3 n TYR 57 Ca 0.02 -3.65 -0.32 0.00 -0.16 0.00 0.00 57.90 53.79 2oq3 n TYR 57 Cb 0.14 -0.38 -0.15 0.00 -0.31 0.00 0.00 39.34 38.64 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 -1.59 2.39 0.00 -0.72 -1.09 -1.26 -0.53 121.20 118.40 2oq3 s ILE 58 Ca 0.37 -0.97 0.00 0.00 -2.23 0.00 0.00 60.65 57.82 2oq3 s ILE 58 Cb 0.22 -1.88 0.00 0.00 -1.58 0.00 0.00 42.46 39.22 2oq3 s ILE 58 CO -0.10 0.58 0.00 0.18 -1.23 0.00 0.00 174.94 174.37 2oq3 n LEU 59 N 2.54 0.80 -3.60 2.97 7.99 -0.55 -4.98 117.00 122.16 2oq3 n LEU 59 Ca -0.17 0.00 -0.10 0.00 -0.01 0.00 0.00 56.01 55.74 2oq3 n LEU 59 Cb 0.52 0.00 -0.02 0.00 -0.11 0.00 0.00 43.42 43.81 2oq3 n LEU 59 CO 0.24 0.13 0.45 0.00 -1.51 0.00 0.00 177.39 176.71 2oq3 s ALA 60 N -1.79 -1.46 -0.39 -1.18 0.00 -1.21 -4.98 121.76 110.75 2oq3 s ALA 60 Ca 0.00 0.19 -0.40 0.00 0.00 0.00 0.00 51.96 51.75 2oq3 s ALA 60 Cb 0.00 0.85 -0.15 0.00 0.00 0.00 0.00 23.12 23.82 2oq3 s ALA 60 CO 0.00 -0.88 2.05 -2.30 0.00 0.00 0.00 175.76 174.63 2oq3 n PRO 61 N -0.41 0.70 -0.73 0.00 -0.02 -1.26 -1.05 135.00 132.23 2oq3 n PRO 61 Ca -0.11 0.21 0.00 0.00 -2.02 0.00 0.00 63.50 61.58 2oq3 n PRO 61 Cb 0.62 -2.03 0.00 0.00 -0.02 0.00 0.00 33.50 32.07 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 6.20 0.74 2.99 -1.23 0.00 -1.26 -4.98 105.19 107.65 2oq3 n GLY 62 Ca 0.42 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.16 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 -2.67 1.28 0.37 1.61 1.01 -0.22 -0.91 120.40 120.87 2oq3 s VAL 63 Ca 0.00 -0.48 0.05 0.00 0.00 0.00 0.00 61.98 61.55 2oq3 s VAL 63 Cb 0.00 -1.22 -0.06 0.00 0.00 0.00 0.00 36.38 35.10 2oq3 s VAL 63 CO 0.00 0.40 0.04 0.00 0.00 0.00 0.00 175.10 175.55 2oq3 s ALA 64 N 1.32 2.81 -0.37 5.51 0.00 0.09 -1.48 121.76 129.64 2oq3 s ALA 64 Ca -0.01 -1.98 0.12 0.00 0.00 0.00 0.00 51.96 50.09 2oq3 s ALA 64 Cb -0.14 0.45 0.36 0.00 0.00 0.00 0.00 23.12 23.79 2oq3 s ALA 64 CO -0.05 -0.22 0.78 -0.12 0.00 0.00 0.00 175.76 176.15 2oq3 n MET 65 N -0.84 0.99 -1.68 0.00 0.00 0.31 -1.86 117.12 114.05 2oq3 n MET 65 Ca -0.05 -3.27 -0.45 0.00 0.00 0.00 0.00 57.70 53.93 2oq3 n MET 65 Cb 0.67 -1.60 -0.04 0.00 0.00 0.00 0.00 33.22 32.24 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 2.30 -3.62 2.12 -0.02 -1.07 -4.82 135.00 130.13 2oq3 n PRO 66 Ca 0.22 0.83 -0.01 0.00 -2.02 0.00 0.00 63.50 62.52 2oq3 n PRO 66 Cb 0.68 -2.63 -0.01 0.00 -0.02 0.00 0.00 33.50 31.51 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 1.57 -0.02 0.25 6.00 5.65 -1.26 -3.89 115.29 123.59 2oq3 s HIS 67 Ca 0.81 0.01 0.01 0.00 0.25 0.00 0.00 55.06 56.13 2oq3 s HIS 67 Cb -0.64 0.50 -0.04 0.00 -1.18 0.00 0.00 32.58 31.22 2oq3 s HIS 67 CO 0.39 -0.04 0.14 0.00 -0.65 0.00 0.00 174.74 174.58 2oq3 s ALA 68 N -2.08 1.53 0.75 1.58 0.00 -1.26 -4.83 121.76 117.45 2oq3 s ALA 68 Ca 0.12 -1.79 -0.15 0.00 0.00 0.00 0.00 51.96 50.15 2oq3 s ALA 68 Cb 0.01 1.27 0.03 0.00 0.00 0.00 0.00 23.12 24.44 2oq3 s ALA 68 CO -0.04 -0.55 1.05 0.54 0.00 0.00 0.00 175.76 176.77 2oq3 n ARG 69 N -0.41 0.42 -0.37 0.00 1.74 -1.26 -4.90 116.66 111.88 2oq3 n ARG 69 Ca 0.02 0.20 0.02 0.00 -0.77 0.00 0.00 57.85 57.33 2oq3 n ARG 69 Cb 0.65 -2.31 0.17 0.00 -1.02 0.00 0.00 32.46 29.96 2oq3 n ARG 69 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 2oq3 h PRO 70 N -0.46 1.14 0.00 5.56 0.13 -1.93 -1.30 132.00 135.14 2oq3 h PRO 70 Ca -0.47 -0.07 0.00 0.00 -0.87 0.00 0.00 66.00 64.59 2oq3 h PRO 70 Cb 1.32 -0.26 0.00 0.00 0.13 0.00 0.00 31.00 32.19 2oq3 h PRO 70 CO 0.47 0.75 0.01 0.93 -0.23 0.00 0.00 178.00 179.93 2oq3 h GLU 71 N 1.17 0.00 0.00 0.86 5.08 -1.90 -0.34 114.58 119.46 2oq3 h GLU 71 Ca 0.43 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.79 2oq3 h GLU 71 Cb 0.15 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.40 2oq3 h GLU 71 CO -0.17 0.00 0.00 0.00 -1.00 0.00 0.00 179.01 177.84 2oq3 n GLY 73 N 1.04 0.18 3.76 0.00 0.00 -0.82 -2.54 105.19 106.81 2oq3 n GLY 73 Ca 0.07 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.42 2.71 0.00 4.61 0.00 -0.20 -0.78 121.76 127.68 2oq3 s ALA 74 Ca 0.00 1.05 0.00 0.00 0.00 0.00 0.00 51.96 53.01 2oq3 s ALA 74 Cb 0.00 -3.45 0.00 0.00 0.00 0.00 0.00 23.12 19.67 2oq3 s ALA 74 CO 0.00 -1.06 0.00 1.28 0.00 0.00 0.00 175.76 175.98 2oq3 n LEU 75 N -1.20 0.64 -3.86 0.00 4.77 0.20 -4.83 117.00 112.72 2oq3 n LEU 75 Ca 0.11 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 56.01 2oq3 n LEU 75 Cb 0.48 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.50 2oq3 n LEU 75 CO 0.47 0.11 -0.11 -0.54 -1.33 0.00 0.00 177.39 175.99 2oq3 s LYS 76 N -1.54 0.83 -0.19 3.23 1.02 -0.31 -4.69 119.74 118.09 2oq3 s LYS 76 Ca 0.00 -0.95 -0.18 0.00 0.02 0.00 0.00 55.97 54.86 2oq3 s LYS 76 Cb 0.00 0.34 -0.04 0.00 -0.52 0.00 0.00 37.83 37.61 2oq3 s LYS 76 CO 0.00 -0.26 0.48 0.99 -0.92 0.00 0.00 175.35 175.64 2oq3 s THR 77 N -3.81 5.15 0.07 2.17 2.01 -1.26 -3.92 115.64 116.05 2oq3 s THR 77 Ca 0.05 0.88 -0.21 0.00 0.31 0.00 0.00 61.69 62.72 2oq3 s THR 77 Cb 0.05 -3.81 0.07 0.00 0.01 0.00 0.00 72.50 68.82 2oq3 s THR 77 CO -0.11 0.22 0.99 0.61 -0.69 0.00 0.00 174.62 175.65 2oq3 n GLY 78 N 3.79 0.49 3.44 4.40 0.00 -0.09 -4.94 105.19 112.27 2oq3 n GLY 78 Ca -0.06 -1.07 -0.10 0.00 0.00 0.00 0.00 46.02 44.79 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 1.41 0.10 1.61 -1.94 0.96 -1.04 119.30 118.37 2oq3 s MET 79 Ca 0.23 -1.39 0.01 0.00 -1.71 0.00 0.00 55.69 52.83 2oq3 s MET 79 Cb -0.02 0.39 -0.04 0.00 2.01 0.00 0.00 34.83 37.18 2oq3 s MET 79 CO 0.02 -0.54 -0.04 -1.12 -0.01 0.00 0.00 175.02 173.33 2oq3 s SER 80 N -3.07 0.95 -0.23 3.03 0.01 -0.19 -4.48 113.70 109.73 2oq3 s SER 80 Ca 0.28 -1.04 -0.04 0.00 1.31 0.00 0.00 55.95 56.46 2oq3 s SER 80 Cb 0.02 0.14 0.09 0.00 0.21 0.00 0.00 66.02 66.48 2oq3 s SER 80 CO 0.10 -0.53 0.18 -0.22 0.41 0.00 0.00 173.24 173.18 2oq3 s LEU 81 N -3.04 0.13 -0.05 2.44 2.96 0.59 -0.62 118.68 121.09 2oq3 s LEU 81 Ca 0.13 -0.64 0.06 0.00 -0.22 0.00 0.00 54.13 53.47 2oq3 s LEU 81 Cb 0.06 0.08 -0.01 0.00 0.50 0.00 0.00 46.19 46.82 2oq3 s LEU 81 CO -0.04 -0.37 -0.23 -0.89 -1.32 0.00 0.00 176.35 173.50 2oq3 s THR 82 N 2.23 1.91 -0.02 3.68 2.01 -0.24 -1.57 115.64 123.64 2oq3 s THR 82 Ca 0.06 -0.99 0.02 0.00 0.31 0.00 0.00 61.69 61.09 2oq3 s THR 82 Cb -0.16 -1.61 0.00 0.00 0.01 0.00 0.00 72.50 70.75 2oq3 s THR 82 CO -0.20 0.53 -0.08 -0.22 -0.69 0.00 0.00 174.62 173.96 2oq3 s LEU 83 N -0.20 1.82 -0.16 4.42 0.20 -0.70 -1.11 118.68 122.95 2oq3 s LEU 83 Ca -0.01 -0.17 -0.01 0.00 0.69 0.00 0.00 54.13 54.63 2oq3 s LEU 83 Cb -0.12 -0.49 -0.01 0.00 -0.43 0.00 0.00 46.19 45.13 2oq3 s LEU 83 CO 0.03 0.06 -0.11 -0.76 -0.29 0.00 0.00 176.35 175.28 2oq3 s LEU 84 N 0.14 2.72 0.22 -0.68 1.02 0.24 -0.59 118.68 121.75 2oq3 s LEU 84 Ca -0.02 -0.37 -0.08 0.00 0.02 0.00 0.00 54.13 53.68 2oq3 s LEU 84 Cb -0.07 -1.63 0.18 0.00 0.02 0.00 0.00 46.19 44.68 2oq3 s LEU 84 CO 0.00 0.11 1.83 -0.33 0.02 0.00 0.00 176.35 177.98 2oq3 h GLU 85 N 7.15 1.16 0.00 1.70 5.08 -0.90 -2.74 114.58 126.03 2oq3 h GLU 85 Ca -0.31 -0.14 0.00 0.00 -1.00 0.00 0.00 59.36 57.90 2oq3 h GLU 85 Cb 1.19 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 30.22 2oq3 h GLU 85 CO 0.58 0.87 -0.88 1.04 -1.00 0.00 0.00 179.01 179.61 2oq3 n GLN 86 N -4.38 0.05 -0.51 2.33 6.02 -1.07 -5.05 117.38 114.77 2oq3 n GLN 86 Ca 0.08 -0.01 0.07 0.00 -0.01 0.00 0.00 57.00 57.14 2oq3 n GLN 86 Cb 0.10 -1.51 -0.02 0.00 1.02 0.00 0.00 30.24 29.84 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 1.48 -1.34 3.49 1.08 0.00 -1.03 -4.99 105.19 103.88 2oq3 n GLY 87 Ca 0.04 -1.08 -0.09 0.00 0.00 0.00 0.00 46.02 44.89 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 -0.81 0.02 -0.43 1.61 0.11 -0.59 -4.48 120.40 115.82 2oq3 s VAL 88 Ca 0.00 -1.38 0.03 0.00 -2.93 0.00 0.00 61.98 57.69 2oq3 s VAL 88 Cb 0.00 -2.07 0.12 0.00 -1.53 0.00 0.00 36.38 32.90 2oq3 s VAL 88 CO 0.00 -0.08 0.20 -0.47 -3.33 0.00 0.00 175.10 171.42 2oq3 s TYR 89 N -4.00 2.52 0.30 1.54 5.04 -1.26 -0.82 117.35 120.65 2oq3 s TYR 89 Ca 0.21 -2.63 -0.28 0.00 -2.44 0.00 0.00 57.07 51.93 2oq3 s TYR 89 Cb 0.01 -2.27 -0.14 0.00 0.35 0.00 0.00 41.96 39.91 2oq3 s TYR 89 CO 0.06 -0.80 0.94 1.19 -1.34 0.00 0.00 175.55 175.59 2oq3 n PHE 90 N 3.66 1.01 -1.90 4.97 3.72 -1.26 -4.90 117.46 122.76 2oq3 n PHE 90 Ca 0.06 0.72 -0.40 0.00 -0.05 0.00 0.00 57.45 57.77 2oq3 n PHE 90 Cb 0.36 -2.21 -0.00 0.00 -0.94 0.00 0.00 39.48 36.69 2oq3 n PHE 90 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 2oq3 s PRO 91 N -1.53 4.01 0.00 -1.08 0.04 -1.26 -3.13 135.00 132.04 2oq3 s PRO 91 Ca 0.60 2.39 0.00 0.00 0.04 0.00 0.00 61.00 64.02 2oq3 s PRO 91 Cb -0.71 -2.86 0.00 0.00 0.04 0.00 0.00 34.50 30.97 2oq3 s PRO 91 CO 0.59 -0.55 0.00 0.41 0.04 0.00 0.00 177.00 177.50 2oq3 n GLY 92 N 0.59 1.46 3.82 0.56 0.00 -1.26 -4.21 105.19 106.14 2oq3 n GLY 92 Ca 0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.75 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 -3.07 4.41 0.21 1.61 2.47 -1.18 -4.89 114.94 114.49 2oq3 s ASN 93 Ca 0.00 1.17 -0.01 0.00 0.42 0.00 0.00 52.86 54.44 2oq3 s ASN 93 Cb 0.00 -1.86 0.17 0.00 -1.45 0.00 0.00 41.25 38.10 2oq3 s ASN 93 CO 0.00 -2.01 1.54 -0.78 -3.72 0.00 0.00 177.10 172.13 2oq3 h ASP 94 N -1.12 0.54 -5.17 -4.21 3.58 -1.94 -3.48 116.42 104.61 2oq3 h ASP 94 Ca -0.47 -0.28 -0.04 0.00 0.42 0.00 0.00 57.03 56.66 2oq3 h ASP 94 Cb 1.28 -0.15 -0.09 0.00 1.72 0.00 0.00 39.33 42.09 2oq3 h ASP 94 CO 0.61 0.97 -0.06 -1.83 -2.88 0.00 0.00 179.24 176.05 2oq3 s GLU 95 N -4.00 1.49 0.70 0.28 -1.05 -1.26 -5.17 118.70 109.69 2oq3 s GLU 95 Ca -0.07 -1.11 -0.11 0.00 -0.15 0.00 0.00 54.97 53.53 2oq3 s GLU 95 Cb 0.12 0.49 0.02 0.00 -0.44 0.00 0.00 34.13 34.31 2oq3 s GLU 95 CO 0.83 -0.62 1.07 -1.25 0.95 0.00 0.00 175.26 176.23 2oq3 s PRO 96 N -3.96 2.81 -0.07 -4.83 0.04 -1.26 -4.72 135.00 123.01 2oq3 s PRO 96 Ca 0.17 1.03 0.02 0.00 0.04 0.00 0.00 61.00 62.26 2oq3 s PRO 96 Cb -0.01 -1.97 -0.02 0.00 0.04 0.00 0.00 34.50 32.54 2oq3 s PRO 96 CO 0.05 -1.20 -0.13 0.42 0.04 0.00 0.00 177.00 176.18 2oq3 s ILE 97 N -2.95 3.16 -0.15 0.56 -1.09 -0.01 -3.98 121.20 116.73 2oq3 s ILE 97 Ca 0.59 -0.67 0.06 0.00 -2.23 0.00 0.00 60.65 58.41 2oq3 s ILE 97 Cb -0.15 -2.27 -0.09 0.00 -1.58 0.00 0.00 42.46 38.38 2oq3 s ILE 97 CO 0.54 0.57 0.21 0.29 -1.23 0.00 0.00 174.94 175.32 2oq3 n LYS 98 N 2.61 2.49 -3.98 2.79 5.02 -0.09 -1.54 118.16 125.46 2oq3 n LYS 98 Ca -0.17 -0.03 -0.12 0.00 -2.02 0.00 0.00 58.31 55.96 2oq3 n LYS 98 Cb 0.52 -0.98 -0.13 0.00 -0.02 0.00 0.00 35.03 34.42 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 -2.89 2.10 -0.18 -0.35 2.96 -0.51 -0.59 118.68 119.22 2oq3 s LEU 99 Ca -0.00 -0.23 -0.05 0.00 -0.22 0.00 0.00 54.13 53.64 2oq3 s LEU 99 Cb 0.04 -0.04 0.06 0.00 0.50 0.00 0.00 46.19 46.75 2oq3 s LEU 99 CO 0.27 -0.10 0.08 -0.76 -1.32 0.00 0.00 176.35 174.52 2oq3 s LEU 100 N -0.63 0.44 0.06 -0.68 1.02 -0.26 -0.73 118.68 117.90 2oq3 s LEU 100 Ca -0.05 -0.65 -0.25 0.00 0.02 0.00 0.00 54.13 53.20 2oq3 s LEU 100 Cb -0.04 -0.28 -0.06 0.00 0.02 0.00 0.00 46.19 45.82 2oq3 s LEU 100 CO -0.00 -0.35 0.76 -0.63 0.02 0.00 0.00 176.35 176.15 2oq3 s ILE 101 N 2.11 4.68 0.19 -0.59 1.01 -0.78 -1.08 121.20 126.73 2oq3 s ILE 101 Ca 0.02 1.62 0.00 0.00 0.00 0.00 0.00 60.65 62.29 2oq3 s ILE 101 Cb -0.16 -4.11 -0.04 0.00 0.01 0.00 0.00 42.46 38.16 2oq3 s ILE 101 CO -0.09 0.40 0.36 -0.83 0.00 0.00 0.00 174.94 174.77 2oq3 s GLY 102 N -0.27 1.75 -0.10 6.18 0.00 0.21 -2.59 107.32 112.50 2oq3 s GLY 102 Ca 0.38 -0.90 -0.17 0.00 0.00 0.00 0.00 44.72 44.03 2oq3 s GLY 102 CO 0.23 -0.87 0.42 -2.27 0.00 0.00 0.00 173.10 170.61 2oq3 s LEU 103 N -3.31 0.40 -0.01 0.66 0.20 -1.25 -1.02 118.68 114.34 2oq3 s LEU 103 Ca 0.37 0.59 -0.04 0.00 0.69 0.00 0.00 54.13 55.74 2oq3 s LEU 103 Cb -0.11 1.53 0.00 0.00 -0.43 0.00 0.00 46.19 47.18 2oq3 s LEU 103 CO 0.29 -0.30 0.08 -0.94 -0.29 0.00 0.00 176.35 175.18 2oq3 s SER 104 N -0.46 0.02 -0.01 3.68 1.04 -0.20 -4.49 113.70 113.27 2oq3 s SER 104 Ca -0.06 -0.08 -0.06 0.00 0.48 0.00 0.00 55.95 56.23 2oq3 s SER 104 Cb -0.03 0.17 0.00 0.00 0.10 0.00 0.00 66.02 66.26 2oq3 s SER 104 CO 0.03 -0.19 0.13 0.00 0.98 0.00 0.00 173.24 174.19 2oq3 s ALA 105 N -0.70 -0.30 -0.72 5.32 0.00 -1.25 -0.92 121.76 123.20 2oq3 s ALA 105 Ca -0.08 -0.01 0.26 0.00 0.00 0.00 0.00 51.96 52.13 2oq3 s ALA 105 Cb -0.05 0.01 0.84 0.00 0.00 0.00 0.00 23.12 23.92 2oq3 s ALA 105 CO 0.00 -0.16 1.78 0.00 0.00 0.00 0.00 175.76 177.38 2oq3 n ALA 106 N 1.94 2.22 -2.82 0.00 0.00 -1.26 -4.52 120.51 116.07 2oq3 n ALA 106 Ca -0.20 -0.02 -0.12 0.00 0.00 0.00 0.00 53.44 53.11 2oq3 n ALA 106 Cb 0.57 -1.46 -0.11 0.00 0.00 0.00 0.00 19.45 18.44 2oq3 n ALA 106 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2oq3 s ASP 107 N -4.44 0.73 0.35 0.00 2.15 -1.26 -4.96 116.67 109.25 2oq3 s ASP 107 Ca 0.10 -0.58 0.03 0.00 0.43 0.00 0.00 52.55 52.53 2oq3 s ASP 107 Cb 0.12 0.06 0.65 0.00 -0.30 0.00 0.00 42.92 43.46 2oq3 s ASP 107 CO 0.57 -0.25 1.97 0.00 -0.17 0.00 0.00 175.17 177.29 2oq3 h ALA 108 N 4.38 1.50 -0.01 3.66 0.00 -1.99 -0.42 119.26 126.39 2oq3 h ALA 108 Ca -0.35 -0.10 -0.14 0.00 0.00 0.00 0.00 54.91 54.33 2oq3 h ALA 108 Cb 1.20 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.77 2oq3 h ALA 108 CO 0.43 0.40 -0.63 0.22 0.00 0.00 0.00 179.25 179.67 2oq3 h ASP 109 N 0.69 0.04 -0.27 0.00 3.58 -1.98 -0.66 116.42 117.81 2oq3 h ASP 109 Ca 0.17 -0.02 -0.09 0.00 0.42 0.00 0.00 57.03 57.51 2oq3 h ASP 109 Cb 0.06 -0.01 -0.02 0.00 1.72 0.00 0.00 39.33 41.08 2oq3 h ASP 109 CO -0.02 0.66 -0.13 0.28 -2.88 0.00 0.00 179.24 177.14 2oq3 h SER 110 N 0.02 0.69 -0.38 2.28 0.02 -1.74 -0.17 113.55 114.27 2oq3 h SER 110 Ca -0.01 -0.20 -0.01 0.00 -0.84 0.00 0.00 61.79 60.73 2oq3 h SER 110 Cb 1.12 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 63.46 2oq3 h SER 110 CO 0.08 0.84 0.21 0.45 -1.14 0.00 0.00 176.83 177.28 2oq3 h HIS 111 N 0.63 0.53 -0.07 3.45 3.86 -0.60 -1.28 115.15 121.67 2oq3 h HIS 111 Ca 0.11 -0.01 0.03 0.00 -1.16 0.00 0.00 60.37 59.34 2oq3 h HIS 111 Cb 0.59 -0.17 -0.04 0.00 1.06 0.00 0.00 27.41 28.85 2oq3 h HIS 111 CO 0.03 0.41 -0.13 0.82 0.86 0.00 0.00 177.93 179.91 2oq3 h ILE 112 N 0.49 0.65 -0.83 2.45 1.08 -0.77 0.79 117.51 121.36 2oq3 h ILE 112 Ca 0.14 0.00 0.02 0.00 -0.39 0.00 0.00 64.86 64.63 2oq3 h ILE 112 Cb 0.05 0.65 -0.05 0.00 -3.07 0.00 0.00 36.82 34.40 2oq3 h ILE 112 CO -0.02 0.00 0.54 1.23 -0.69 0.00 0.00 178.15 179.21 2oq3 h GLY 113 N -0.19 1.19 0.91 5.37 0.00 -0.86 0.52 103.07 110.01 2oq3 h GLY 113 Ca 0.07 -0.42 -0.10 0.00 0.00 0.00 0.00 47.33 46.88 2oq3 h GLY 113 CO -0.19 0.38 -0.22 0.00 0.00 0.00 0.00 176.54 176.52 2oq3 h ALA 114 N 1.33 0.38 -0.38 3.60 0.00 -0.87 -2.04 119.26 121.27 2oq3 h ALA 114 Ca 0.32 -0.36 0.02 0.00 0.00 0.00 0.00 54.91 54.88 2oq3 h ALA 114 Cb -0.05 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 2oq3 h ALA 114 CO -0.09 0.33 0.23 0.82 0.00 0.00 0.00 179.25 180.54 2oq3 h ILE 115 N 0.33 1.04 0.00 0.00 1.08 -0.56 0.40 117.51 119.81 2oq3 h ILE 115 Ca 0.05 -0.16 0.00 0.00 -0.39 0.00 0.00 64.86 64.36 2oq3 h ILE 115 Cb 0.76 0.54 0.00 0.00 -3.07 0.00 0.00 36.82 35.06 2oq3 h ILE 115 CO 0.06 0.08 0.00 0.00 -0.69 0.00 0.00 178.15 177.60 2oq3 n GLN 116 N -4.87 0.08 -0.11 2.37 1.13 0.15 -0.71 117.38 115.43 2oq3 n GLN 116 Ca 0.01 0.37 -0.23 0.00 -1.94 0.00 0.00 57.00 55.21 2oq3 n GLN 116 Cb 0.06 -1.67 -0.11 0.00 0.11 0.00 0.00 30.24 28.62 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 -1.62 0.85 0.21 -1.58 0.00 -0.67 -4.26 120.51 113.44 2oq3 n ALA 117 Ca 0.02 -0.59 0.07 0.00 0.00 0.00 0.00 53.44 52.94 2oq3 n ALA 117 Cb 0.16 -0.44 0.44 0.00 0.00 0.00 0.00 19.45 19.61 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 -1.00 0.00 -2.48 0.00 8.10 -0.60 -0.92 115.31 118.41 2oq3 h LEU 118 Ca -0.40 0.00 -0.00 0.00 0.11 0.00 0.00 57.88 57.58 2oq3 h LEU 118 Cb 1.34 0.00 -0.00 0.00 -0.44 0.00 0.00 40.66 41.56 2oq3 h LEU 118 CO -0.24 0.31 -0.02 0.28 -4.11 0.00 0.00 178.44 174.65 2oq3 h SER 119 N 0.00 0.00 0.50 0.17 0.02 -1.12 0.20 113.55 113.32 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 0.69 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.23 2oq3 h SER 119 CO 0.04 0.02 0.00 -0.33 -1.14 0.00 0.00 176.83 175.42 2oq3 h GLU 120 N 0.00 0.00 0.00 3.45 4.39 -1.34 -2.24 114.58 118.84 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 0.13 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.78 2oq3 h GLU 120 CO 0.00 0.00 -0.62 1.28 -1.16 0.00 0.00 179.01 178.51 2oq3 n LEU 121 N -2.56 1.53 0.21 1.33 4.77 0.17 -4.56 117.00 117.89 2oq3 n LEU 121 Ca 0.00 0.25 0.15 0.00 -0.03 0.00 0.00 56.01 56.38 2oq3 n LEU 121 Cb 0.17 -0.59 0.63 0.00 -2.33 0.00 0.00 43.42 41.30 2oq3 n LEU 121 CO 0.19 -0.43 0.94 -0.07 -1.33 0.00 0.00 177.39 176.69 2oq3 h LEU 122 N -0.62 0.00 -3.31 2.23 3.38 -0.80 -2.79 115.31 113.39 2oq3 h LEU 122 Ca 0.00 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.84 2oq3 h LEU 122 Cb 0.62 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.29 2oq3 h LEU 122 CO 0.00 0.00 -0.07 0.00 0.09 0.00 0.00 178.44 178.46 2oq3 s GLU 124 N -3.15 0.35 0.59 0.00 2.56 -1.05 -4.97 118.70 113.02 2oq3 s GLU 124 Ca 0.43 -0.82 0.29 0.00 0.00 0.00 0.00 54.97 54.87 2oq3 s GLU 124 Cb 0.39 -1.27 1.60 0.00 2.00 0.00 0.00 34.13 36.84 2oq3 s GLU 124 CO 0.01 -1.08 2.04 1.05 -0.56 0.00 0.00 175.26 176.73 2oq3 h GLU 125 N 7.95 0.00 -0.33 4.30 4.11 -1.90 0.47 114.58 129.17 2oq3 h GLU 125 Ca -0.12 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.29 2oq3 h GLU 125 Cb 1.00 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.23 2oq3 h GLU 125 CO 0.39 0.00 0.13 0.93 0.07 0.00 0.00 179.01 180.53 2oq3 h GLU 126 N 0.00 0.50 -0.20 1.06 5.08 -1.95 -1.47 114.58 117.61 2oq3 h GLU 126 Ca 0.12 -0.09 -0.19 0.00 -1.00 0.00 0.00 59.36 58.20 2oq3 h GLU 126 Cb 0.70 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.87 2oq3 h GLU 126 CO -0.00 0.51 -0.64 0.82 -1.00 0.00 0.00 179.01 178.70 2oq3 h ILE 127 N 0.39 1.30 -0.40 3.13 5.03 -1.26 -2.92 117.51 122.78 2oq3 h ILE 127 Ca 0.11 -1.87 0.03 0.00 -0.12 0.00 0.00 64.86 63.01 2oq3 h ILE 127 Cb 0.19 1.83 -0.02 0.00 -3.03 0.00 0.00 36.82 35.79 2oq3 h ILE 127 CO -0.01 0.59 0.27 -0.07 -0.68 0.00 0.00 178.15 178.25 2oq3 h LEU 128 N 0.52 0.38 -0.32 1.44 3.38 -0.80 0.11 115.31 120.01 2oq3 h LEU 128 Ca -0.01 -0.01 -0.09 0.00 0.09 0.00 0.00 57.88 57.86 2oq3 h LEU 128 Cb 1.23 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.88 2oq3 h LEU 128 CO 0.13 0.26 -0.15 -0.33 0.09 0.00 0.00 178.44 178.44 2oq3 h GLU 129 N 0.44 0.67 -0.24 1.13 5.08 -1.22 -0.04 114.58 120.40 2oq3 h GLU 129 Ca 0.16 -0.29 -0.06 0.00 -1.00 0.00 0.00 59.36 58.17 2oq3 h GLU 129 Cb 0.10 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 2oq3 h GLU 129 CO -0.04 0.88 -0.10 1.96 -1.00 0.00 0.00 179.01 180.71 2oq3 h GLN 130 N 0.44 0.38 0.06 2.33 4.20 -0.88 -0.84 115.11 120.81 2oq3 h GLN 130 Ca 0.07 -0.10 -0.14 0.00 0.06 0.00 0.00 58.65 58.55 2oq3 h GLN 130 Cb 0.68 -0.05 0.01 0.00 0.30 0.00 0.00 27.48 28.42 2oq3 h GLN 130 CO 0.05 0.50 -0.59 1.37 -0.67 0.00 0.00 178.83 179.48 2oq3 h LEU 131 N 0.36 0.41 -2.21 1.46 8.10 -0.86 -3.06 115.31 119.51 2oq3 h LEU 131 Ca 0.07 -0.87 -0.01 0.00 0.11 0.00 0.00 57.88 57.18 2oq3 h LEU 131 Cb 0.41 -0.13 -0.00 0.00 -0.44 0.00 0.00 40.66 40.50 2oq3 h LEU 131 CO 0.02 1.24 -0.06 -0.07 -4.11 0.00 0.00 178.44 175.46 2oq3 h LEU 132 N -0.37 0.00 -1.44 0.17 3.38 -0.68 -0.29 115.31 116.08 2oq3 h LEU 132 Ca -0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.88 2oq3 h LEU 132 Cb 1.39 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.14 2oq3 h LEU 132 CO 0.11 0.06 0.00 0.35 0.09 0.00 0.00 178.44 179.05 2oq3 n THR 133 N -3.60 0.07 -1.99 0.22 -2.24 -0.35 -4.93 114.28 101.47 2oq3 n THR 133 Ca -0.02 -0.39 -0.42 0.00 -2.27 0.00 0.00 64.05 60.94 2oq3 n THR 133 Cb 0.17 0.88 -0.03 0.00 -2.10 0.00 0.00 70.33 69.25 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 -1.93 2.69 -0.10 6.98 0.00 -0.12 -4.85 121.76 124.43 2oq3 s ALA 134 Ca 0.34 0.09 0.18 0.00 0.00 0.00 0.00 51.96 52.57 2oq3 s ALA 134 Cb 0.20 -4.08 0.34 0.00 0.00 0.00 0.00 23.12 19.59 2oq3 s ALA 134 CO 0.31 -2.93 1.57 0.66 0.00 0.00 0.00 175.76 175.38 2oq3 h SER 135 N 13.52 0.00 -5.11 0.00 4.64 -1.91 -3.48 113.55 121.21 2oq3 h SER 135 Ca -0.32 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 60.91 2oq3 h SER 135 Cb 1.17 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 63.11 2oq3 h SER 135 CO 1.07 0.37 -0.35 -0.44 -0.87 0.00 0.00 176.83 176.61 2oq3 s SER 136 N -6.36 0.04 0.28 4.97 0.01 -1.26 -5.06 113.70 106.32 2oq3 s SER 136 Ca 0.03 -0.47 0.02 0.00 1.31 0.00 0.00 55.95 56.84 2oq3 s SER 136 Cb 0.08 0.33 0.66 0.00 0.21 0.00 0.00 66.02 67.30 2oq3 s SER 136 CO 0.71 -0.66 1.73 -0.08 0.41 0.00 0.00 173.24 175.35 2oq3 h GLU 137 N 3.05 0.52 0.00 12.44 4.81 -1.92 -2.20 114.58 131.27 2oq3 h GLU 137 Ca -0.33 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 58.85 2oq3 h GLU 137 Cb 1.20 -0.12 -0.00 0.00 0.63 0.00 0.00 28.75 30.46 2oq3 h GLU 137 CO 0.52 0.34 -0.10 0.87 -0.73 0.00 0.00 179.01 179.90 2oq3 h LYS 138 N 0.53 0.00 0.01 1.92 6.56 -1.97 -0.83 116.57 122.80 2oq3 h LYS 138 Ca 0.53 0.00 -0.20 0.00 -1.06 0.00 0.00 60.65 59.92 2oq3 h LYS 138 Cb 0.89 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 32.53 2oq3 h LYS 138 CO -0.44 0.10 -0.88 0.37 -2.06 0.00 0.00 179.45 176.54 2oq3 h GLN 139 N 0.00 0.15 -0.31 3.15 5.75 -1.82 -0.20 115.11 121.83 2oq3 h GLN 139 Ca -0.00 -0.17 -0.09 0.00 -0.15 0.00 0.00 58.65 58.24 2oq3 h GLN 139 Cb 0.61 0.05 -0.01 0.00 1.07 0.00 0.00 27.48 29.20 2oq3 h GLN 139 CO 0.01 0.94 -0.16 -0.07 -2.65 0.00 0.00 178.83 176.90 2oq3 h LEU 140 N 0.08 0.68 -1.11 -2.39 3.38 -1.26 -2.35 115.31 112.34 2oq3 h LEU 140 Ca -0.04 -0.41 0.09 0.00 0.09 0.00 0.00 57.88 57.60 2oq3 h LEU 140 Cb 1.52 -0.19 -0.07 0.00 0.09 0.00 0.00 40.66 42.02 2oq3 h LEU 140 CO 0.13 0.94 0.61 0.00 0.09 0.00 0.00 178.44 180.21 2oq3 h ALA 141 N 0.76 1.53 -0.79 1.53 0.00 -1.17 -2.26 119.26 118.88 2oq3 h ALA 141 Ca 0.07 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 2oq3 h ALA 141 Cb 0.69 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 18.20 2oq3 h ALA 141 CO 0.05 0.29 0.38 0.22 0.00 0.00 0.00 179.25 180.19 2oq3 h ASP 142 N 1.01 1.02 -0.57 0.00 3.58 -0.64 -0.52 116.42 120.29 2oq3 h ASP 142 Ca 0.42 -0.11 -0.02 0.00 0.42 0.00 0.00 57.03 57.74 2oq3 h ASP 142 Cb 0.31 -0.26 -0.03 0.00 1.72 0.00 0.00 39.33 41.08 2oq3 h ASP 142 CO -0.18 0.85 0.29 0.40 -2.88 0.00 0.00 179.24 177.73 2oq3 h ILE 143 N 1.11 1.20 -0.67 2.25 2.04 -0.91 -0.00 117.51 122.54 2oq3 h ILE 143 Ca 0.27 -0.54 0.02 0.00 1.00 0.00 0.00 64.86 65.62 2oq3 h ILE 143 Cb 0.11 0.50 -0.04 0.00 -0.74 0.00 0.00 36.82 36.64 2oq3 h ILE 143 CO -0.04 0.22 0.42 0.40 0.00 0.00 0.00 178.15 179.16 2oq3 h ILE 144 N 0.78 1.10 0.00 -0.67 1.08 -0.86 -1.11 117.51 117.83 2oq3 h ILE 144 Ca 0.20 -0.29 -0.09 0.00 -0.39 0.00 0.00 64.86 64.29 2oq3 h ILE 144 Cb 0.09 0.20 -0.01 0.00 -3.07 0.00 0.00 36.82 34.02 2oq3 h ILE 144 CO -0.03 0.15 -0.43 0.28 -0.69 0.00 0.00 178.15 177.44 2oq3 h SER 145 N 0.83 0.00 -0.35 1.72 0.02 -0.63 -2.89 113.55 112.25 2oq3 h SER 145 Ca 0.26 0.00 -0.16 0.00 -0.84 0.00 0.00 61.79 61.06 2oq3 h SER 145 Cb -0.00 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.53 2oq3 h SER 145 CO -0.10 0.43 -0.40 -0.09 -1.14 0.00 0.00 176.83 175.53 2oq3 h ARG 146 N 0.00 0.90 0.00 3.45 2.43 -0.46 -3.48 114.38 117.22 2oq3 h ARG 146 Ca -0.00 -0.49 0.00 0.00 -0.81 0.00 0.00 59.98 58.68 2oq3 h ARG 146 Cb 0.96 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.54 2oq3 h ARG 146 CO 0.06 1.14 0.00 0.41 -1.51 0.00 0.00 179.97 180.06