#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2oq3 n ARG 2 N 0.00 1.79 -0.09 2.12 3.00 -1.26 -4.84 116.66 117.38 2oq3 n ARG 2 Ca 0.00 0.55 0.09 0.00 -0.01 0.00 0.00 57.85 58.48 2oq3 n ARG 2 Cb 0.00 -2.86 0.45 0.00 0.00 0.00 0.00 32.46 30.05 2oq3 n ARG 2 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.63 177.56 2oq3 h LEU 3 N 12.75 0.46 -0.68 0.55 -0.00 -1.82 -1.33 115.31 125.23 2oq3 h LEU 3 Ca -0.39 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.50 2oq3 h LEU 3 Cb 1.27 -0.09 0.00 0.00 -0.00 0.00 0.00 40.66 41.84 2oq3 h LEU 3 CO 0.97 0.29 0.00 -1.54 -0.00 0.00 0.00 178.44 178.17 2oq3 n SER 4 N -4.48 0.27 0.01 -0.43 3.41 -1.26 -0.69 113.62 110.45 2oq3 n SER 4 Ca 0.09 0.62 -0.11 0.00 -0.26 0.00 0.00 58.87 59.21 2oq3 n SER 4 Cb 0.29 -0.66 -0.14 0.00 -0.26 0.00 0.00 64.21 63.44 2oq3 n SER 4 CO 0.00 0.00 0.00 -0.78 -0.16 0.00 0.00 175.04 174.10 2oq3 h ASP 5 N 0.00 0.12 0.11 4.04 3.58 -1.62 -3.40 116.42 119.25 2oq3 h ASP 5 Ca 0.00 -0.21 -0.28 0.00 0.42 0.00 0.00 57.03 56.96 2oq3 h ASP 5 Cb 0.01 -0.04 -0.01 0.00 1.72 0.00 0.00 39.33 41.01 2oq3 h ASP 5 CO 0.00 1.18 -1.43 1.88 -2.88 0.00 0.00 179.24 178.00 2oq3 h TYR 6 N 0.02 0.42 -3.37 0.28 0.05 -1.28 -3.45 116.97 109.64 2oq3 h TYR 6 Ca -0.24 -0.31 -0.60 0.00 0.05 0.00 0.00 58.73 57.63 2oq3 h TYR 6 Cb 1.97 -0.02 -0.10 0.00 1.01 0.00 0.00 36.73 39.60 2oq3 h TYR 6 CO 0.02 1.56 0.37 0.12 -1.05 0.00 0.00 178.16 179.18 2oq3 s PHE 7 N -2.47 3.27 0.00 4.88 2.19 0.13 -0.54 117.98 125.44 2oq3 s PHE 7 Ca -0.20 0.97 0.00 0.00 0.33 0.00 0.00 56.93 58.02 2oq3 s PHE 7 Cb 0.04 -3.04 0.00 0.00 -1.31 0.00 0.00 43.02 38.72 2oq3 s PHE 7 CO 0.76 -0.42 0.00 -0.35 1.83 0.00 0.00 175.22 177.03 2oq3 n PRO 8 N 5.98 0.00 -3.80 10.12 -0.04 -1.26 -4.59 135.00 141.41 2oq3 n PRO 8 Ca 0.03 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.40 2oq3 n PRO 8 Cb 0.48 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 33.89 2oq3 n PRO 8 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 2oq3 s GLU 9 N 0.10 1.18 -0.87 0.54 2.12 -1.26 -4.87 118.70 115.64 2oq3 s GLU 9 Ca 0.00 -0.94 0.00 0.00 0.36 0.00 0.00 54.97 54.39 2oq3 s GLU 9 Cb 0.00 0.44 0.00 0.00 0.26 0.00 0.00 34.13 34.83 2oq3 s GLU 9 CO 0.00 -0.46 0.00 0.43 -0.54 0.00 0.00 175.26 174.69 2oq3 n SER 10 N -0.24 -5.03 -1.61 -1.70 7.64 -1.26 -4.86 113.62 106.57 2oq3 n SER 10 Ca -0.11 0.20 0.07 0.00 1.01 0.00 0.00 58.87 60.05 2oq3 n SER 10 Cb 0.63 -3.65 0.37 0.00 -1.01 0.00 0.00 64.21 60.55 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 -0.75 5.23 -4.02 6.43 3.41 -1.26 -4.69 113.62 117.97 2oq3 n SER 11 Ca -0.08 -2.96 -0.18 0.00 -0.26 0.00 0.00 58.87 55.39 2oq3 n SER 11 Cb 0.51 -0.65 -0.14 0.00 -0.26 0.00 0.00 64.21 63.67 2oq3 n SER 11 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2oq3 s ILE 12 N -2.80 0.66 -0.05 -1.33 1.01 -1.25 -0.29 121.20 117.15 2oq3 s ILE 12 Ca 0.51 -0.46 -0.26 0.00 0.00 0.00 0.00 60.65 60.44 2oq3 s ILE 12 Cb 0.40 -0.57 0.06 0.00 0.01 0.00 0.00 42.46 42.35 2oq3 s ILE 12 CO 0.14 0.11 0.57 -0.44 0.00 0.00 0.00 174.94 175.33 2oq3 s SER 13 N -0.39 -0.53 -0.10 3.58 0.01 -1.13 -5.00 113.70 110.14 2oq3 s SER 13 Ca 0.02 0.57 0.01 0.00 1.31 0.00 0.00 55.95 57.86 2oq3 s SER 13 Cb -0.04 0.51 -0.02 0.00 0.21 0.00 0.00 66.02 66.68 2oq3 s SER 13 CO -0.00 -0.54 -0.12 -0.69 0.41 0.00 0.00 173.24 172.29 2oq3 s VAL 14 N -1.15 3.16 0.05 3.43 1.01 -1.26 -1.73 120.40 123.91 2oq3 s VAL 14 Ca -0.11 -0.65 0.04 0.00 0.00 0.00 0.00 61.98 61.27 2oq3 s VAL 14 Cb -0.02 -2.30 -0.02 0.00 0.00 0.00 0.00 36.38 34.04 2oq3 s VAL 14 CO 0.08 0.55 -0.12 -0.63 0.00 0.00 0.00 175.10 174.97 2oq3 s ILE 15 N -0.04 0.97 0.09 2.22 1.01 -0.08 -4.98 121.20 120.38 2oq3 s ILE 15 Ca -0.02 -1.08 -0.17 0.00 0.00 0.00 0.00 60.65 59.38 2oq3 s ILE 15 Cb -0.14 -0.92 -0.08 0.00 0.01 0.00 0.00 42.46 41.33 2oq3 s ILE 15 CO 0.04 -0.14 1.47 -0.74 0.00 0.00 0.00 174.94 175.57 2oq3 h HIS 16 N 4.69 0.62 -1.73 3.97 -0.00 -1.95 0.39 115.15 121.15 2oq3 h HIS 16 Ca -0.38 -0.14 0.03 0.00 -0.00 0.00 0.00 60.37 59.87 2oq3 h HIS 16 Cb 1.19 -0.15 -0.22 0.00 -0.00 0.00 0.00 27.41 28.23 2oq3 h HIS 16 CO 0.58 0.77 0.40 -1.12 -0.00 0.00 0.00 177.93 178.57 2oq3 s SER 17 N -6.19 -0.49 0.43 3.26 0.01 -1.26 -0.90 113.70 108.56 2oq3 s SER 17 Ca -0.13 0.60 -0.22 0.00 1.31 0.00 0.00 55.95 57.51 2oq3 s SER 17 Cb 0.08 0.49 -0.10 0.00 0.21 0.00 0.00 66.02 66.70 2oq3 s SER 17 CO 0.78 -0.41 0.99 0.00 0.41 0.00 0.00 173.24 175.02 2oq3 s ALA 18 N -0.93 3.02 0.30 1.44 0.00 -1.26 -4.96 121.76 119.37 2oq3 s ALA 18 Ca -0.04 0.53 -0.01 0.00 0.00 0.00 0.00 51.96 52.44 2oq3 s ALA 18 Cb -0.01 -3.21 0.46 0.00 0.00 0.00 0.00 23.12 20.36 2oq3 s ALA 18 CO 0.04 -0.05 1.92 -0.22 0.00 0.00 0.00 175.76 177.45 2oq3 h LYS 19 N 2.08 0.96 0.00 0.00 1.63 -1.99 -3.46 116.57 115.78 2oq3 h LYS 19 Ca -0.49 -0.10 0.06 0.00 -0.85 0.00 0.00 60.65 59.27 2oq3 h LYS 19 Cb 1.20 -0.19 -0.01 0.00 -0.60 0.00 0.00 32.23 32.63 2oq3 h LYS 19 CO 0.61 0.70 0.40 -3.47 -3.45 0.00 0.00 179.45 174.24 2oq3 n ASP 20 N -4.37 -1.90 0.04 4.20 2.03 -1.26 -4.96 116.55 110.33 2oq3 n ASP 20 Ca 0.07 -2.18 -0.02 0.00 0.52 0.00 0.00 54.79 53.18 2oq3 n ASP 20 Cb 0.10 3.13 0.25 0.00 -0.72 0.00 0.00 41.12 43.88 2oq3 n ASP 20 CO 0.00 0.00 0.00 4.11 -1.92 0.00 0.00 177.20 179.39 2oq3 h TRP 21 N 1.92 0.45 -0.19 -0.67 5.08 -1.89 0.63 115.95 121.27 2oq3 h TRP 21 Ca -0.29 -0.08 0.05 0.00 1.08 0.00 0.00 58.89 59.65 2oq3 h TRP 21 Cb 1.14 -0.12 -0.05 0.00 -3.00 0.00 0.00 29.16 27.13 2oq3 h TRP 21 CO 0.00 0.60 -0.12 1.96 -1.28 0.00 0.00 178.44 179.60 2oq3 h GLN 22 N 0.37 -0.10 -0.11 0.12 4.20 -1.96 -1.71 115.11 115.92 2oq3 h GLN 22 Ca 0.06 0.01 -0.07 0.00 0.06 0.00 0.00 58.65 58.71 2oq3 h GLN 22 Cb 0.58 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.37 2oq3 h GLN 22 CO 0.04 -0.07 -0.26 1.49 -0.67 0.00 0.00 178.83 179.36 2oq3 h GLU 23 N -0.11 0.19 -0.51 1.46 4.57 -1.74 -0.90 114.58 117.54 2oq3 h GLU 23 Ca 0.11 -0.06 -0.08 0.00 -1.18 0.00 0.00 59.36 58.15 2oq3 h GLU 23 Cb 0.27 -0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 28.82 2oq3 h GLU 23 CO -0.26 0.45 -0.02 0.00 -1.18 0.00 0.00 179.01 178.00 2oq3 h ALA 24 N 1.56 1.02 -0.26 2.92 0.00 -0.26 0.26 119.26 124.50 2oq3 h ALA 24 Ca 0.03 -0.29 -0.04 0.00 0.00 0.00 0.00 54.91 54.61 2oq3 h ALA 24 Cb 0.57 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 2oq3 h ALA 24 CO 0.04 0.60 -0.01 0.82 0.00 0.00 0.00 179.25 180.71 2oq3 h ILE 25 N 0.80 1.26 -0.50 0.00 2.04 -0.94 -2.07 117.51 118.10 2oq3 h ILE 25 Ca 0.15 -0.94 0.03 0.00 1.00 0.00 0.00 64.86 65.11 2oq3 h ILE 25 Cb 0.50 1.36 -0.04 0.00 -0.74 0.00 0.00 36.82 37.90 2oq3 h ILE 25 CO 0.03 0.30 0.27 -0.78 0.00 0.00 0.00 178.15 177.97 2oq3 h ASP 26 N 0.24 0.42 0.13 1.72 3.58 -0.30 -0.01 116.42 122.19 2oq3 h ASP 26 Ca 0.07 0.02 -0.08 0.00 0.42 0.00 0.00 57.03 57.46 2oq3 h ASP 26 Cb 0.44 -0.07 -0.01 0.00 1.72 0.00 0.00 39.33 41.41 2oq3 h ASP 26 CO 0.02 0.29 -0.27 -0.26 -2.88 0.00 0.00 179.24 176.14 2oq3 h PHE 27 N 0.54 0.27 0.00 0.28 0.04 -0.57 0.22 116.94 117.72 2oq3 h PHE 27 Ca 0.21 -0.05 -0.01 0.00 2.80 0.00 0.00 57.97 60.92 2oq3 h PHE 27 Cb 0.08 -0.07 -0.00 0.00 2.20 0.00 0.00 35.95 38.16 2oq3 h PHE 27 CO -0.09 0.50 -0.03 0.77 -0.60 0.00 0.00 178.31 178.86 2oq3 h SER 28 N 0.22 0.00 0.00 2.17 0.02 -0.27 -3.33 113.55 112.36 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 0.60 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.14 2oq3 h SER 28 CO 0.04 0.03 -0.98 0.23 -1.14 0.00 0.00 176.83 175.02 2oq3 n MET 29 N -3.75 0.17 -0.00 3.45 2.81 -0.79 -3.96 117.12 115.04 2oq3 n MET 29 Ca -0.03 0.00 0.03 0.00 -1.81 0.00 0.00 57.70 55.89 2oq3 n MET 29 Cb 0.13 -0.99 0.39 0.00 -0.71 0.00 0.00 33.22 32.04 2oq3 n MET 29 CO 0.00 0.00 0.00 -0.24 1.51 0.00 0.00 175.97 177.24 2oq3 h VAL 30 N 0.00 1.13 -0.01 2.03 3.04 -0.70 -0.27 116.25 121.47 2oq3 h VAL 30 Ca 0.00 -0.35 -0.05 0.00 -1.01 0.00 0.00 66.70 65.29 2oq3 h VAL 30 Cb 0.00 0.62 -0.01 0.00 -2.01 0.00 0.00 31.29 29.89 2oq3 h VAL 30 CO 0.00 0.15 -0.23 0.28 -1.01 0.00 0.00 177.57 176.75 2oq3 h SER 31 N 0.54 0.01 -0.05 3.17 0.02 -1.83 0.13 113.55 115.55 2oq3 h SER 31 Ca 0.14 -0.00 -0.14 0.00 -0.84 0.00 0.00 61.79 60.95 2oq3 h SER 31 Cb 0.04 -0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.58 2oq3 h SER 31 CO -0.02 0.25 -0.52 -0.07 -1.14 0.00 0.00 176.83 175.33 2oq3 h LEU 32 N 0.01 0.54 -0.99 5.07 3.38 -1.47 -3.30 115.31 118.56 2oq3 h LEU 32 Ca 0.00 -0.70 0.08 0.00 0.09 0.00 0.00 57.88 57.35 2oq3 h LEU 32 Cb 0.42 -0.16 -0.07 0.00 0.09 0.00 0.00 40.66 40.94 2oq3 h LEU 32 CO 0.03 1.16 0.64 0.25 0.09 0.00 0.00 178.44 180.61 2oq3 h LEU 33 N -0.03 1.00 -1.29 1.67 5.85 -0.17 0.76 115.31 123.09 2oq3 h LEU 33 Ca -0.05 0.02 -0.07 0.00 0.84 0.00 0.00 57.88 58.61 2oq3 h LEU 33 Cb 1.20 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 42.02 2oq3 h LEU 33 CO 0.10 0.62 -0.32 -0.78 -0.34 0.00 0.00 178.44 177.73 2oq3 h ASP 34 N 1.13 0.06 -0.63 1.25 3.58 -0.85 -0.45 116.42 120.52 2oq3 h ASP 34 Ca 0.44 -0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.87 2oq3 h ASP 34 Cb 0.23 -0.02 0.00 0.00 1.72 0.00 0.00 39.33 41.26 2oq3 h ASP 34 CO -0.19 0.38 0.00 0.29 -2.88 0.00 0.00 179.24 176.84 2oq3 n LYS 35 N -4.15 3.61 -4.24 0.28 4.76 -1.07 -4.96 118.16 112.40 2oq3 n LYS 35 Ca -0.02 -2.75 -0.34 0.00 -2.87 0.00 0.00 58.31 52.33 2oq3 n LYS 35 Cb 0.37 -1.87 -0.05 0.00 -1.84 0.00 0.00 35.03 31.65 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 1.10 -1.80 0.29 4.39 2.04 -0.18 -4.87 115.26 116.24 2oq3 n ASN 36 Ca 0.25 -1.09 0.19 0.00 -0.44 0.00 0.00 54.58 53.49 2oq3 n ASN 36 Cb 0.86 -2.45 0.87 0.00 -2.53 0.00 0.00 39.78 36.53 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 -1.50 0.00 -4.31 -2.53 -1.99 -1.07 -3.40 116.97 102.16 2oq3 h TYR 37 Ca -0.61 0.00 -0.21 0.00 2.00 0.00 0.00 58.73 59.91 2oq3 h TYR 37 Cb 1.39 0.00 -0.13 0.00 2.00 0.00 0.00 36.73 39.99 2oq3 h TYR 37 CO 0.60 0.00 -0.44 0.96 -0.00 0.00 0.00 178.16 179.28 2oq3 s ILE 38 N -3.83 0.00 0.23 -2.88 -4.36 -1.25 -0.64 121.20 108.47 2oq3 s ILE 38 Ca -0.01 -1.80 0.06 0.00 -0.26 0.00 0.00 60.65 58.64 2oq3 s ILE 38 Cb 0.10 -2.43 -0.03 0.00 1.25 0.00 0.00 42.46 41.35 2oq3 s ILE 38 CO 0.49 0.00 0.24 -0.44 0.24 0.00 0.00 174.94 175.47 2oq3 s SER 39 N -3.14 5.80 0.45 4.36 0.01 0.24 -4.70 113.70 116.73 2oq3 s SER 39 Ca 0.34 -0.12 0.11 0.00 1.31 0.00 0.00 55.95 57.59 2oq3 s SER 39 Cb 0.04 -1.57 1.03 0.00 0.21 0.00 0.00 66.02 65.73 2oq3 s SER 39 CO 0.13 -0.03 2.09 -0.33 0.41 0.00 0.00 173.24 175.51 2oq3 h GLU 40 N 1.52 0.32 -0.63 12.44 5.08 -1.95 -1.52 114.58 129.85 2oq3 h GLU 40 Ca -0.49 -0.02 0.07 0.00 -1.00 0.00 0.00 59.36 57.91 2oq3 h GLU 40 Cb 1.23 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 30.37 2oq3 h GLU 40 CO 0.61 0.21 0.41 -0.97 -1.00 0.00 0.00 179.01 178.28 2oq3 h ASN 41 N 0.33 0.52 -0.93 1.42 -1.24 -1.93 -2.27 115.58 111.49 2oq3 h ASN 41 Ca 0.10 0.00 0.01 0.00 0.71 0.00 0.00 56.30 57.12 2oq3 h ASN 41 Cb -0.02 -0.11 -0.05 0.00 0.73 0.00 0.00 38.32 38.88 2oq3 h ASN 41 CO -0.02 0.34 0.61 0.22 -1.29 0.00 0.00 177.43 177.29 2oq3 h TYR 42 N 0.60 1.16 -0.01 0.67 3.20 -1.05 0.81 116.97 122.35 2oq3 h TYR 42 Ca 0.27 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 62.17 2oq3 h TYR 42 Cb 0.31 -0.39 -0.00 0.00 1.54 0.00 0.00 36.73 38.19 2oq3 h TYR 42 CO -0.00 0.72 0.00 0.82 -1.64 0.00 0.00 178.16 178.06 2oq3 h ILE 43 N 1.24 1.15 0.00 1.81 2.04 -1.51 -2.78 117.51 119.46 2oq3 h ILE 43 Ca 0.34 -0.44 -0.05 0.00 1.00 0.00 0.00 64.86 65.71 2oq3 h ILE 43 Cb -0.12 1.43 -0.01 0.00 -0.74 0.00 0.00 36.82 37.39 2oq3 h ILE 43 CO -0.08 0.12 -0.26 1.56 0.00 0.00 0.00 178.15 179.48 2oq3 h GLN 44 N -0.17 0.00 -0.75 2.37 1.08 -1.29 -2.25 115.11 114.10 2oq3 h GLN 44 Ca 0.00 0.00 0.07 0.00 -1.45 0.00 0.00 58.65 57.28 2oq3 h GLN 44 Cb 0.19 0.00 -0.06 0.00 -0.05 0.00 0.00 27.48 27.56 2oq3 h GLN 44 CO -0.00 0.26 0.43 0.00 -0.95 0.00 0.00 178.83 178.57 2oq3 h ALA 45 N 1.74 1.03 -0.12 3.87 0.00 -0.57 0.21 119.26 125.42 2oq3 h ALA 45 Ca -0.00 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 2oq3 h ALA 45 Cb 0.51 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 2oq3 h ALA 45 CO 0.03 0.10 -0.09 0.82 0.00 0.00 0.00 179.25 180.11 2oq3 h ILE 46 N 0.76 1.34 -0.52 0.00 2.04 -1.31 -2.36 117.51 117.46 2oq3 h ILE 46 Ca 0.34 -1.21 -0.02 0.00 1.00 0.00 0.00 64.86 64.98 2oq3 h ILE 46 Cb 0.25 1.88 -0.02 0.00 -0.74 0.00 0.00 36.82 38.18 2oq3 h ILE 46 CO -0.21 0.35 0.25 0.11 0.00 0.00 0.00 178.15 178.65 2oq3 h LYS 47 N -0.10 0.76 -0.54 2.37 1.57 -0.88 0.69 116.57 120.43 2oq3 h LYS 47 Ca 0.02 -0.11 -0.10 0.00 -1.87 0.00 0.00 60.65 58.59 2oq3 h LYS 47 Cb 0.59 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.75 2oq3 h LYS 47 CO 0.02 0.63 -0.04 0.22 -0.57 0.00 0.00 179.45 179.71 2oq3 h ASP 48 N 0.70 0.97 -0.23 0.86 3.58 -0.66 -1.05 116.42 120.59 2oq3 h ASP 48 Ca 0.18 -0.32 -0.05 0.00 0.42 0.00 0.00 57.03 57.26 2oq3 h ASP 48 Cb 0.12 -0.26 -0.02 0.00 1.72 0.00 0.00 39.33 40.89 2oq3 h ASP 48 CO -0.02 1.06 -0.00 0.28 -2.88 0.00 0.00 179.24 177.68 2oq3 h SER 49 N 0.86 0.49 -0.66 2.28 0.02 -1.11 -0.71 113.55 114.72 2oq3 h SER 49 Ca 0.15 -0.09 -0.08 0.00 -0.84 0.00 0.00 61.79 60.93 2oq3 h SER 49 Cb 0.59 -0.13 -0.03 0.00 0.14 0.00 0.00 62.40 62.97 2oq3 h SER 49 CO 0.04 0.57 0.11 0.74 -1.14 0.00 0.00 176.83 177.14 2oq3 h THR 50 N 0.51 1.26 -0.48 -2.27 2.02 -0.25 -1.94 112.91 111.77 2oq3 h THR 50 Ca 0.11 -1.04 -0.03 0.00 0.77 0.00 0.00 66.41 66.22 2oq3 h THR 50 Cb 0.33 0.63 -0.02 0.00 -1.74 0.00 0.00 68.15 67.35 2oq3 h THR 50 CO 0.01 0.39 0.18 0.40 0.37 0.00 0.00 175.52 176.87 2oq3 h ILE 51 N 1.03 1.21 -0.18 3.11 2.04 -0.75 -2.55 117.51 121.43 2oq3 h ILE 51 Ca 0.20 -0.68 -0.08 0.00 1.00 0.00 0.00 64.86 65.31 2oq3 h ILE 51 Cb 0.44 0.77 -0.01 0.00 -0.74 0.00 0.00 36.82 37.28 2oq3 h ILE 51 CO 0.01 0.25 -0.22 0.78 0.00 0.00 0.00 178.15 178.97 2oq3 h ASN 52 N 0.63 0.31 0.00 1.72 2.35 -0.59 -3.42 115.58 116.58 2oq3 h ASN 52 Ca 0.16 -0.09 0.00 0.00 -0.55 0.00 0.00 56.30 55.82 2oq3 h ASN 52 Cb 0.22 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 38.50 2oq3 h ASN 52 CO -0.01 0.55 0.00 -3.20 -1.65 0.00 0.00 177.43 173.12 2oq3 n ASN 53 N -4.17 -0.51 0.00 5.81 5.15 -0.78 -5.09 115.26 115.67 2oq3 n ASN 53 Ca -0.01 0.24 0.00 0.00 -0.60 0.00 0.00 54.58 54.21 2oq3 n ASN 53 Cb 0.36 0.63 0.00 0.00 -0.53 0.00 0.00 39.78 40.23 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 0.69 2.12 3.69 8.20 0.00 -0.96 -4.62 105.19 114.31 2oq3 n GLY 54 Ca 0.00 -1.15 -0.44 0.00 0.00 0.00 0.00 46.02 44.42 2oq3 n GLY 54 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2oq3 n PRO 55 N -1.08 2.28 -2.84 1.61 -0.04 -1.26 -3.95 135.00 129.72 2oq3 n PRO 55 Ca 0.00 0.81 -0.43 0.00 -0.04 0.00 0.00 63.50 63.84 2oq3 n PRO 55 Cb 0.00 -2.55 -0.02 0.00 -0.04 0.00 0.00 33.50 30.90 2oq3 n PRO 55 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 2oq3 s TYR 56 N 0.34 3.11 0.00 0.54 1.51 -1.26 -4.41 117.35 117.17 2oq3 s TYR 56 Ca 0.71 -1.56 0.00 0.00 -1.01 0.00 0.00 57.07 55.21 2oq3 s TYR 56 Cb -0.61 -4.41 0.00 0.00 -0.11 0.00 0.00 41.96 36.83 2oq3 s TYR 56 CO 0.44 -1.57 0.00 0.66 -1.11 0.00 0.00 175.55 173.98 2oq3 n TYR 57 N 6.85 0.00 -4.77 2.71 4.01 -1.26 -4.04 117.16 120.65 2oq3 n TYR 57 Ca 0.32 0.00 -0.25 0.00 -0.16 0.00 0.00 57.90 57.81 2oq3 n TYR 57 Cb 0.47 0.00 -0.16 0.00 -0.31 0.00 0.00 39.34 39.34 2oq3 n TYR 57 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 2oq3 s ILE 58 N 0.00 1.31 0.00 -0.72 -1.09 -1.26 -1.38 121.20 118.06 2oq3 s ILE 58 Ca 0.00 -0.68 0.00 0.00 -2.23 0.00 0.00 60.65 57.74 2oq3 s ILE 58 Cb 0.00 -1.12 0.00 0.00 -1.58 0.00 0.00 42.46 39.76 2oq3 s ILE 58 CO 0.00 0.38 0.00 0.18 -1.23 0.00 0.00 174.94 174.27 2oq3 n LEU 59 N 2.96 0.32 -3.44 2.97 7.99 -0.41 -4.95 117.00 122.45 2oq3 n LEU 59 Ca -0.17 0.00 -0.12 0.00 -0.01 0.00 0.00 56.01 55.72 2oq3 n LEU 59 Cb 0.54 0.00 -0.02 0.00 -0.11 0.00 0.00 43.42 43.82 2oq3 n LEU 59 CO 0.25 0.05 0.38 0.00 -1.51 0.00 0.00 177.39 176.56 2oq3 s ALA 60 N -1.92 -1.55 -0.30 -1.18 0.00 -1.20 -5.02 121.76 110.58 2oq3 s ALA 60 Ca 0.00 0.44 -0.36 0.00 0.00 0.00 0.00 51.96 52.04 2oq3 s ALA 60 Cb 0.00 0.88 -0.12 0.00 0.00 0.00 0.00 23.12 23.87 2oq3 s ALA 60 CO 0.00 -0.76 2.06 -2.30 0.00 0.00 0.00 175.76 174.76 2oq3 n PRO 61 N -0.37 1.24 0.00 0.00 -0.02 -1.26 -0.92 135.00 133.66 2oq3 n PRO 61 Ca -0.17 0.39 0.00 0.00 -2.02 0.00 0.00 63.50 61.70 2oq3 n PRO 61 Cb 0.65 -2.41 0.00 0.00 -0.02 0.00 0.00 33.50 31.71 2oq3 n PRO 61 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2oq3 n GLY 62 N 5.81 0.28 2.96 -1.23 0.00 -1.25 -5.02 105.19 106.74 2oq3 n GLY 62 Ca 0.36 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.14 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 0.95 0.30 1.61 1.01 -0.10 -1.55 120.40 120.62 2oq3 s VAL 63 Ca 0.00 -0.34 0.06 0.00 0.00 0.00 0.00 61.98 61.71 2oq3 s VAL 63 Cb 0.00 -0.91 -0.06 0.00 0.00 0.00 0.00 36.38 35.41 2oq3 s VAL 63 CO 0.00 0.32 -0.03 0.00 0.00 0.00 0.00 175.10 175.40 2oq3 s ALA 64 N 0.98 2.43 -0.37 5.51 0.00 0.02 -1.29 121.76 129.04 2oq3 s ALA 64 Ca -0.09 -1.97 0.12 0.00 0.00 0.00 0.00 51.96 50.01 2oq3 s ALA 64 Cb -0.15 0.28 0.35 0.00 0.00 0.00 0.00 23.12 23.60 2oq3 s ALA 64 CO 0.00 -0.12 0.73 -0.12 0.00 0.00 0.00 175.76 176.25 2oq3 n MET 65 N -0.64 0.96 -1.64 0.00 0.00 -0.48 -1.92 117.12 113.40 2oq3 n MET 65 Ca -0.05 -3.34 -0.43 0.00 0.00 0.00 0.00 57.70 53.89 2oq3 n MET 65 Cb 0.64 -1.68 -0.00 0.00 0.00 0.00 0.00 33.22 32.18 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 0.32 1.67 -3.62 2.12 -0.02 -1.08 -4.69 135.00 129.69 2oq3 n PRO 66 Ca 0.24 0.59 -0.04 0.00 -2.02 0.00 0.00 63.50 62.28 2oq3 n PRO 66 Cb 0.66 -2.10 -0.03 0.00 -0.02 0.00 0.00 33.50 32.01 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 -1.13 -0.09 0.11 6.00 5.04 -1.26 -2.05 115.29 121.91 2oq3 s HIS 67 Ca 0.59 0.12 0.02 0.00 -1.54 0.00 0.00 55.06 54.24 2oq3 s HIS 67 Cb -0.61 0.50 -0.04 0.00 0.04 0.00 0.00 32.58 32.46 2oq3 s HIS 67 CO 0.60 -0.10 -0.06 0.00 -2.34 0.00 0.00 174.74 172.84 2oq3 s ALA 68 N -1.51 1.01 0.45 1.58 0.00 -1.26 -4.84 121.76 117.18 2oq3 s ALA 68 Ca 0.08 -1.38 -0.24 0.00 0.00 0.00 0.00 51.96 50.43 2oq3 s ALA 68 Cb -0.01 0.21 -0.09 0.00 0.00 0.00 0.00 23.12 23.23 2oq3 s ALA 68 CO -0.05 -0.25 1.15 0.54 0.00 0.00 0.00 175.76 177.15 2oq3 n ARG 69 N -0.06 1.60 -0.32 0.00 1.74 -1.26 -4.82 116.66 113.54 2oq3 n ARG 69 Ca -0.11 0.58 0.19 0.00 -0.77 0.00 0.00 57.85 57.73 2oq3 n ARG 69 Cb 0.61 -2.25 0.40 0.00 -1.02 0.00 0.00 32.46 30.20 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 1.69 0.34 0.00 5.56 0.11 -1.93 -0.43 132.00 137.35 2oq3 h PRO 70 Ca -0.47 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2oq3 h PRO 70 Cb 1.32 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.35 2oq3 h PRO 70 CO 0.58 0.23 0.00 0.39 -0.21 0.00 0.00 178.00 178.98 2oq3 n GLU 71 N -5.06 0.11 0.00 1.05 1.02 -1.26 -1.09 120.64 115.41 2oq3 n GLU 71 Ca 0.27 0.56 0.12 0.00 -0.02 0.00 0.00 57.16 58.10 2oq3 n GLU 71 Cb 0.84 -1.83 0.67 0.00 -0.02 0.00 0.00 31.44 31.09 2oq3 n GLU 71 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2oq3 n GLY 73 N 0.76 1.19 3.76 0.00 0.00 -0.83 -2.67 105.19 107.39 2oq3 n GLY 73 Ca 0.14 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.31 2.83 0.00 4.61 0.00 -0.25 -0.59 121.76 127.06 2oq3 s ALA 74 Ca 0.00 1.09 0.00 0.00 0.00 0.00 0.00 51.96 53.05 2oq3 s ALA 74 Cb 0.00 -3.46 0.00 0.00 0.00 0.00 0.00 23.12 19.66 2oq3 s ALA 74 CO 0.00 -1.02 0.00 1.28 0.00 0.00 0.00 175.76 176.02 2oq3 n LEU 75 N -0.90 0.00 -3.95 0.00 4.77 0.19 -4.81 117.00 112.30 2oq3 n LEU 75 Ca 0.10 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 55.99 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 0.49 0.00 -0.22 -0.54 -1.33 0.00 0.00 177.39 175.79 2oq3 s LYS 76 N -1.50 0.67 -0.15 3.23 1.02 -0.36 -4.78 119.74 117.86 2oq3 s LYS 76 Ca 0.00 -0.95 -0.21 0.00 0.02 0.00 0.00 55.97 54.83 2oq3 s LYS 76 Cb 0.00 0.26 -0.03 0.00 -0.52 0.00 0.00 37.83 37.54 2oq3 s LYS 76 CO 0.00 -0.17 0.63 0.99 -0.92 0.00 0.00 175.35 175.88 2oq3 s THR 77 N -3.34 5.05 0.17 2.17 2.01 -1.26 -3.84 115.64 116.60 2oq3 s THR 77 Ca 0.01 1.22 -0.18 0.00 0.31 0.00 0.00 61.69 63.06 2oq3 s THR 77 Cb 0.03 -3.95 0.06 0.00 0.01 0.00 0.00 72.50 68.65 2oq3 s THR 77 CO -0.08 0.18 0.86 0.61 -0.69 0.00 0.00 174.62 175.50 2oq3 n GLY 78 N 3.53 0.74 3.31 4.40 0.00 0.01 -4.93 105.19 112.25 2oq3 n GLY 78 Ca -0.02 -1.13 -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 -2.05 1.27 0.17 1.61 -1.94 0.30 -0.85 119.30 117.81 2oq3 s MET 79 Ca 0.19 -1.48 -0.18 0.00 -1.71 0.00 0.00 55.69 52.52 2oq3 s MET 79 Cb -0.03 0.33 0.03 0.00 2.01 0.00 0.00 34.83 37.18 2oq3 s MET 79 CO 0.05 -0.45 0.50 -1.12 -0.01 0.00 0.00 175.02 173.99 2oq3 s SER 80 N -3.10 -0.29 -0.04 3.03 0.01 -0.51 -4.07 113.70 108.73 2oq3 s SER 80 Ca 0.32 -0.39 0.05 0.00 1.31 0.00 0.00 55.95 57.24 2oq3 s SER 80 Cb 0.05 0.55 -0.01 0.00 0.21 0.00 0.00 66.02 66.82 2oq3 s SER 80 CO 0.09 -0.99 -0.19 -0.76 0.41 0.00 0.00 173.24 171.80 2oq3 s LEU 81 N -2.84 1.97 -0.02 2.44 1.02 0.60 -0.11 118.68 121.73 2oq3 s LEU 81 Ca 0.07 -0.37 0.02 0.00 0.02 0.00 0.00 54.13 53.86 2oq3 s LEU 81 Cb -0.00 -1.04 0.00 0.00 0.02 0.00 0.00 46.19 45.18 2oq3 s LEU 81 CO -0.06 0.19 -0.06 -0.89 0.02 0.00 0.00 176.35 175.54 2oq3 s THR 82 N -0.11 0.57 0.03 5.49 2.01 0.15 -2.84 115.64 120.94 2oq3 s THR 82 Ca -0.01 -0.25 0.05 0.00 0.31 0.00 0.00 61.69 61.79 2oq3 s THR 82 Cb -0.11 -0.52 -0.02 0.00 0.01 0.00 0.00 72.50 71.86 2oq3 s THR 82 CO 0.02 0.19 -0.15 -0.22 -0.69 0.00 0.00 174.62 173.76 2oq3 s LEU 83 N 0.21 2.14 0.01 4.42 2.96 -0.71 -1.24 118.68 126.47 2oq3 s LEU 83 Ca -0.03 -0.43 0.05 0.00 -0.22 0.00 0.00 54.13 53.50 2oq3 s LEU 83 Cb -0.07 -0.68 -0.03 0.00 0.50 0.00 0.00 46.19 45.91 2oq3 s LEU 83 CO -0.00 0.08 -0.14 -0.76 -1.32 0.00 0.00 176.35 174.21 2oq3 s LEU 84 N -1.00 2.79 0.18 -0.68 2.01 0.39 -0.90 118.68 121.46 2oq3 s LEU 84 Ca 0.03 -0.29 0.02 0.00 0.01 0.00 0.00 54.13 53.90 2oq3 s LEU 84 Cb -0.08 -1.61 0.04 0.00 0.01 0.00 0.00 46.19 44.56 2oq3 s LEU 84 CO 0.01 0.29 1.41 -0.33 1.01 0.00 0.00 176.35 178.74 2oq3 h GLU 85 N 4.75 0.25 -3.66 1.70 5.08 -0.77 -3.39 114.58 118.54 2oq3 h GLU 85 Ca -0.47 -0.24 -0.62 0.00 -1.00 0.00 0.00 59.36 57.02 2oq3 h GLU 85 Cb 1.16 0.06 -0.40 0.00 0.50 0.00 0.00 28.75 30.07 2oq3 h GLU 85 CO 0.50 0.93 -0.71 -0.65 -1.00 0.00 0.00 179.01 178.08 2oq3 s GLN 86 N -3.37 1.36 0.99 2.33 -0.21 -0.08 -5.02 119.66 115.66 2oq3 s GLN 86 Ca -0.04 -1.90 -0.12 0.00 0.02 0.00 0.00 55.36 53.32 2oq3 s GLN 86 Cb 0.10 -2.71 0.13 0.00 1.00 0.00 0.00 33.01 31.53 2oq3 s GLN 86 CO 0.83 -1.05 0.78 0.41 -2.12 0.00 0.00 175.29 174.14 2oq3 n GLY 87 N 3.93 -1.36 3.13 3.09 0.00 -1.26 -4.15 105.19 108.57 2oq3 n GLY 87 Ca 0.04 -0.81 -0.19 0.00 0.00 0.00 0.00 46.02 45.06 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 -2.49 1.04 0.45 1.61 1.01 -0.81 -4.73 120.40 116.49 2oq3 s VAL 88 Ca 0.63 -0.98 0.08 0.00 0.00 0.00 0.00 61.98 61.70 2oq3 s VAL 88 Cb -0.22 -0.95 0.01 0.00 0.00 0.00 0.00 36.38 35.22 2oq3 s VAL 88 CO 0.63 -0.03 0.47 -0.72 0.00 0.00 0.00 175.10 175.45 2oq3 s TYR 89 N -0.88 2.41 0.20 5.22 -0.85 -1.26 -0.64 117.35 121.55 2oq3 s TYR 89 Ca 0.01 -0.55 0.09 0.00 -0.52 0.00 0.00 57.07 56.09 2oq3 s TYR 89 Cb -0.08 -2.18 -0.04 0.00 0.38 0.00 0.00 41.96 40.04 2oq3 s TYR 89 CO 0.01 -0.35 -0.18 -0.06 -1.52 0.00 0.00 175.55 173.45 2oq3 s PHE 90 N -2.52 1.91 -1.51 -3.49 0.08 -0.87 -4.52 117.98 107.06 2oq3 s PHE 90 Ca 0.49 -0.46 0.05 0.00 0.12 0.00 0.00 56.93 57.12 2oq3 s PHE 90 Cb -0.05 -0.91 0.25 0.00 -0.57 0.00 0.00 43.02 41.74 2oq3 s PHE 90 CO 0.29 0.42 0.95 -0.35 -0.10 0.00 0.00 175.22 176.43 2oq3 n PRO 91 N -0.04 0.08 -0.27 0.24 -0.04 -1.26 -1.73 135.00 131.98 2oq3 n PRO 91 Ca -0.10 0.21 0.01 0.00 -0.04 0.00 0.00 63.50 63.58 2oq3 n PRO 91 Cb 0.58 -1.50 0.02 0.00 -0.04 0.00 0.00 33.50 32.56 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 -0.86 0.35 2.99 0.55 0.00 -1.26 -4.92 105.19 102.03 2oq3 n GLY 92 Ca 0.02 -0.16 -0.05 0.00 0.00 0.00 0.00 46.02 45.83 2oq3 n GLY 92 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2oq3 s ASN 93 N -0.99 -0.26 0.45 1.61 2.47 -0.70 -4.68 114.94 112.84 2oq3 s ASN 93 Ca 0.04 0.41 0.25 0.00 0.42 0.00 0.00 52.86 53.99 2oq3 s ASN 93 Cb 0.04 1.44 0.82 0.00 -1.45 0.00 0.00 41.25 42.10 2oq3 s ASN 93 CO 0.00 -0.29 1.78 -0.78 -3.72 0.00 0.00 177.10 174.10 2oq3 h ASP 94 N 8.13 0.00 -3.18 -4.21 3.58 -1.96 -2.30 116.42 116.48 2oq3 h ASP 94 Ca -0.20 0.00 -0.55 0.00 0.42 0.00 0.00 57.03 56.70 2oq3 h ASP 94 Cb 1.16 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 42.19 2oq3 h ASP 94 CO 0.27 0.16 0.60 -0.70 -2.88 0.00 0.00 179.24 176.69 2oq3 s GLU 95 N -3.49 4.41 0.52 0.28 2.56 -1.26 -4.83 118.70 116.89 2oq3 s GLU 95 Ca 0.02 1.62 -0.20 0.00 0.00 0.00 0.00 54.97 56.41 2oq3 s GLU 95 Cb 0.09 -3.49 -0.07 0.00 2.00 0.00 0.00 34.13 32.65 2oq3 s GLU 95 CO 0.63 -0.33 1.09 -1.25 -0.56 0.00 0.00 175.26 174.85 2oq3 s PRO 96 N 1.75 3.55 -0.22 4.30 0.04 -1.26 -4.64 135.00 138.51 2oq3 s PRO 96 Ca 0.55 1.52 -0.07 0.00 0.04 0.00 0.00 61.00 63.04 2oq3 s PRO 96 Cb -0.24 -2.06 -0.03 0.00 0.04 0.00 0.00 34.50 32.21 2oq3 s PRO 96 CO 0.24 -0.67 0.06 0.42 0.04 0.00 0.00 177.00 177.09 2oq3 s ILE 97 N -1.84 4.47 -0.17 0.56 -1.09 0.19 -3.82 121.20 119.50 2oq3 s ILE 97 Ca 0.70 -0.13 0.20 0.00 -2.23 0.00 0.00 60.65 59.19 2oq3 s ILE 97 Cb -0.21 -3.06 -0.09 0.00 -1.58 0.00 0.00 42.46 37.52 2oq3 s ILE 97 CO 0.24 0.38 0.89 0.29 -1.23 0.00 0.00 174.94 175.51 2oq3 n LYS 98 N 4.39 0.62 -4.28 2.79 5.02 -0.59 -1.92 118.16 124.19 2oq3 n LYS 98 Ca -0.16 0.14 -0.22 0.00 -2.02 0.00 0.00 58.31 56.04 2oq3 n LYS 98 Cb 0.52 -1.79 -0.17 0.00 -0.02 0.00 0.00 35.03 33.57 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 -5.47 1.40 -0.02 -0.35 2.96 -0.62 -0.46 118.68 116.12 2oq3 s LEU 99 Ca -0.02 -0.20 0.03 0.00 -0.22 0.00 0.00 54.13 53.72 2oq3 s LEU 99 Cb 0.09 -0.61 -0.00 0.00 0.50 0.00 0.00 46.19 46.17 2oq3 s LEU 99 CO 0.81 -0.03 -0.10 -0.76 -1.32 0.00 0.00 176.35 174.95 2oq3 s LEU 100 N 0.92 1.91 -0.27 -0.68 1.02 -0.38 -0.80 118.68 120.41 2oq3 s LEU 100 Ca -0.11 -0.19 0.02 0.00 0.02 0.00 0.00 54.13 53.87 2oq3 s LEU 100 Cb -0.15 -0.55 0.07 0.00 0.02 0.00 0.00 46.19 45.59 2oq3 s LEU 100 CO 0.01 0.10 -0.04 -0.63 0.02 0.00 0.00 176.35 175.80 2oq3 s ILE 101 N -0.04 1.81 0.48 -0.59 1.01 -0.81 -0.67 121.20 122.38 2oq3 s ILE 101 Ca 0.01 -1.56 -0.22 0.00 0.00 0.00 0.00 60.65 58.88 2oq3 s ILE 101 Cb -0.06 -2.09 -0.07 0.00 0.01 0.00 0.00 42.46 40.25 2oq3 s ILE 101 CO 0.00 -0.21 1.12 -0.83 0.00 0.00 0.00 174.94 175.02 2oq3 s GLY 102 N 1.24 2.69 -0.07 6.18 0.00 0.84 -2.65 107.32 115.55 2oq3 s GLY 102 Ca -0.03 0.82 -0.05 0.00 0.00 0.00 0.00 44.72 45.47 2oq3 s GLY 102 CO -0.07 1.22 0.17 -2.27 0.00 0.00 0.00 173.10 172.15 2oq3 s LEU 103 N -3.28 1.02 0.06 0.66 0.20 -0.87 -1.43 118.68 115.05 2oq3 s LEU 103 Ca 0.66 0.35 0.06 0.00 0.69 0.00 0.00 54.13 55.89 2oq3 s LEU 103 Cb -0.24 0.53 -0.03 0.00 -0.43 0.00 0.00 46.19 46.02 2oq3 s LEU 103 CO 0.29 -0.10 -0.15 -0.94 -0.29 0.00 0.00 176.35 175.16 2oq3 s SER 104 N 0.60 1.83 -0.08 3.68 1.04 -0.03 -4.30 113.70 116.44 2oq3 s SER 104 Ca -0.04 -0.57 -0.05 0.00 0.48 0.00 0.00 55.95 55.78 2oq3 s SER 104 Cb -0.06 -0.09 0.03 0.00 0.10 0.00 0.00 66.02 66.01 2oq3 s SER 104 CO -0.03 -0.01 0.18 0.00 0.98 0.00 0.00 173.24 174.37 2oq3 s ALA 105 N -1.09 -0.41 -0.03 5.32 0.00 -1.25 -0.81 121.76 123.49 2oq3 s ALA 105 Ca 0.01 0.72 0.31 0.00 0.00 0.00 0.00 51.96 52.99 2oq3 s ALA 105 Cb -0.09 -0.45 1.10 0.00 0.00 0.00 0.00 23.12 23.68 2oq3 s ALA 105 CO 0.02 -0.15 1.89 0.00 0.00 0.00 0.00 175.76 177.52 2oq3 h ALA 106 N 6.79 1.00 -2.59 0.00 0.00 -1.87 -3.38 119.26 119.21 2oq3 h ALA 106 Ca -0.37 -0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.42 2oq3 h ALA 106 Cb 1.16 -0.00 -0.19 0.00 0.00 0.00 0.00 17.79 18.77 2oq3 h ALA 106 CO 0.40 0.01 -0.36 0.34 0.00 0.00 0.00 179.25 179.64 2oq3 s ASP 107 N -5.83 -0.05 0.44 0.00 2.15 -1.26 -4.94 116.67 107.18 2oq3 s ASP 107 Ca 0.03 -0.19 0.10 0.00 0.43 0.00 0.00 52.55 52.91 2oq3 s ASP 107 Cb 0.08 0.29 0.99 0.00 -0.30 0.00 0.00 42.92 43.97 2oq3 s ASP 107 CO 0.58 -0.50 2.08 0.00 -0.17 0.00 0.00 175.17 177.16 2oq3 h ALA 108 N 3.68 1.81 0.01 3.66 0.00 -1.99 -0.77 119.26 125.65 2oq3 h ALA 108 Ca -0.31 -0.02 -0.19 0.00 0.00 0.00 0.00 54.91 54.39 2oq3 h ALA 108 Cb 1.19 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.84 2oq3 h ALA 108 CO 0.44 0.18 -0.91 0.22 0.00 0.00 0.00 179.25 179.18 2oq3 h ASP 109 N 0.39 0.04 -0.44 0.00 3.58 -1.98 -1.44 116.42 116.57 2oq3 h ASP 109 Ca 0.11 -0.04 -0.07 0.00 0.42 0.00 0.00 57.03 57.46 2oq3 h ASP 109 Cb -0.02 -0.01 -0.02 0.00 1.72 0.00 0.00 39.33 40.99 2oq3 h ASP 109 CO -0.02 0.93 0.04 0.28 -2.88 0.00 0.00 179.24 177.59 2oq3 h SER 110 N 0.01 0.78 -0.33 2.28 0.02 -1.77 -0.34 113.55 114.21 2oq3 h SER 110 Ca -0.02 -0.17 0.02 0.00 -0.84 0.00 0.00 61.79 60.77 2oq3 h SER 110 Cb 1.60 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 63.91 2oq3 h SER 110 CO 0.12 0.82 0.19 -0.74 -1.14 0.00 0.00 176.83 176.08 2oq3 h HIS 111 N 0.77 0.35 -0.13 3.45 -0.00 -0.97 -1.24 115.15 117.38 2oq3 h HIS 111 Ca 0.16 0.01 0.02 0.00 -0.00 0.00 0.00 60.37 60.56 2oq3 h HIS 111 Cb 0.40 -0.11 -0.02 0.00 -0.00 0.00 0.00 27.41 27.69 2oq3 h HIS 111 CO 0.02 0.20 0.02 0.82 -0.00 0.00 0.00 177.93 178.99 2oq3 h ILE 112 N 0.38 0.93 -0.86 6.26 1.08 -0.74 1.00 117.51 125.56 2oq3 h ILE 112 Ca 0.13 -0.02 0.06 0.00 -0.39 0.00 0.00 64.86 64.63 2oq3 h ILE 112 Cb 0.01 0.86 -0.06 0.00 -3.07 0.00 0.00 36.82 34.56 2oq3 h ILE 112 CO -0.07 0.01 0.54 1.23 -0.69 0.00 0.00 178.15 179.17 2oq3 h GLY 113 N 0.07 1.29 0.77 5.37 0.00 -0.84 0.18 103.07 109.90 2oq3 h GLY 113 Ca 0.06 -0.39 -0.07 0.00 0.00 0.00 0.00 47.33 46.92 2oq3 h GLY 113 CO -0.09 0.28 -0.19 0.00 0.00 0.00 0.00 176.54 176.54 2oq3 h ALA 114 N 1.40 0.23 -0.50 3.60 0.00 -0.78 -2.57 119.26 120.64 2oq3 h ALA 114 Ca 0.37 -0.35 0.07 0.00 0.00 0.00 0.00 54.91 55.00 2oq3 h ALA 114 Cb 0.14 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 17.83 2oq3 h ALA 114 CO -0.16 0.16 0.17 0.82 0.00 0.00 0.00 179.25 180.23 2oq3 h ILE 115 N 0.03 0.82 0.00 0.00 1.08 -0.53 0.14 117.51 119.05 2oq3 h ILE 115 Ca 0.02 -0.12 0.00 0.00 -0.39 0.00 0.00 64.86 64.37 2oq3 h ILE 115 Cb 0.74 0.45 0.00 0.00 -3.07 0.00 0.00 36.82 34.94 2oq3 h ILE 115 CO 0.05 0.06 0.00 0.00 -0.69 0.00 0.00 178.15 177.57 2oq3 n GLN 116 N -5.02 0.01 -0.09 2.37 1.13 0.02 -0.61 117.38 115.20 2oq3 n GLN 116 Ca 0.05 0.29 -0.22 0.00 -1.94 0.00 0.00 57.00 55.18 2oq3 n GLN 116 Cb 0.20 -1.50 -0.12 0.00 0.11 0.00 0.00 30.24 28.93 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 -1.49 1.15 0.15 -1.58 0.00 -0.51 -4.50 120.51 113.72 2oq3 n ALA 117 Ca 0.03 -0.88 0.02 0.00 0.00 0.00 0.00 53.44 52.61 2oq3 n ALA 117 Cb 0.14 -0.28 0.15 0.00 0.00 0.00 0.00 19.45 19.46 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 -0.30 0.00 -2.73 0.00 8.10 -0.47 -2.52 115.31 117.39 2oq3 h LEU 118 Ca -0.53 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.46 2oq3 h LEU 118 Cb 1.81 0.00 -0.00 0.00 -0.44 0.00 0.00 40.66 42.03 2oq3 h LEU 118 CO -0.12 0.53 0.03 0.77 -4.11 0.00 0.00 178.44 175.54 2oq3 h SER 119 N 0.00 0.00 0.55 0.17 4.64 -1.09 0.26 113.55 118.07 2oq3 h SER 119 Ca -0.01 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.31 2oq3 h SER 119 Cb 1.21 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.30 2oq3 h SER 119 CO 0.07 0.00 -0.01 -0.33 -0.87 0.00 0.00 176.83 175.69 2oq3 h GLU 120 N 0.00 0.00 0.00 4.77 4.39 -1.67 -1.74 114.58 120.33 2oq3 h GLU 120 Ca 0.01 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.71 2oq3 h GLU 120 Cb 0.07 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.72 2oq3 h GLU 120 CO -0.00 0.01 -0.81 1.28 -1.16 0.00 0.00 179.01 178.33 2oq3 n LEU 121 N -3.13 1.69 0.09 1.33 4.77 0.63 -4.54 117.00 117.84 2oq3 n LEU 121 Ca -0.01 0.28 0.09 0.00 -0.03 0.00 0.00 56.01 56.34 2oq3 n LEU 121 Cb 0.20 -0.67 0.55 0.00 -2.33 0.00 0.00 43.42 41.17 2oq3 n LEU 121 CO 0.24 -0.34 1.13 -0.07 -1.33 0.00 0.00 177.39 177.03 2oq3 h LEU 122 N -0.81 0.21 -3.67 2.23 -0.00 -0.85 -2.53 115.31 109.89 2oq3 h LEU 122 Ca 0.00 -0.00 -0.27 0.00 -0.00 0.00 0.00 57.88 57.61 2oq3 h LEU 122 Cb 0.81 -0.05 -0.16 0.00 -0.00 0.00 0.00 40.66 41.26 2oq3 h LEU 122 CO 0.00 0.15 0.27 0.00 -0.00 0.00 0.00 178.44 178.85 2oq3 s GLU 124 N -3.13 0.77 0.55 0.00 0.41 -0.95 -4.98 118.70 111.38 2oq3 s GLU 124 Ca 0.52 -1.21 0.25 0.00 -0.41 0.00 0.00 54.97 54.12 2oq3 s GLU 124 Cb 0.43 -1.98 1.48 0.00 -1.78 0.00 0.00 34.13 32.29 2oq3 s GLU 124 CO 0.09 -1.03 2.05 1.05 -0.49 0.00 0.00 175.26 176.93 2oq3 h GLU 125 N 7.83 0.00 -0.39 1.61 4.11 -1.85 0.27 114.58 126.15 2oq3 h GLU 125 Ca -0.11 0.00 -0.05 0.00 0.07 0.00 0.00 59.36 59.27 2oq3 h GLU 125 Cb 1.00 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.23 2oq3 h GLU 125 CO 0.46 0.00 0.04 0.93 0.07 0.00 0.00 179.01 180.51 2oq3 h GLU 126 N 0.00 0.66 -0.39 1.06 5.08 -1.95 -2.08 114.58 116.97 2oq3 h GLU 126 Ca 0.15 -0.19 -0.09 0.00 -1.00 0.00 0.00 59.36 58.23 2oq3 h GLU 126 Cb 0.70 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.86 2oq3 h GLU 126 CO -0.00 0.73 -0.12 0.82 -1.00 0.00 0.00 179.01 179.45 2oq3 h ILE 127 N 0.50 1.28 -0.71 3.13 5.03 -1.32 -2.88 117.51 122.54 2oq3 h ILE 127 Ca 0.12 -1.21 0.08 0.00 -0.12 0.00 0.00 64.86 63.73 2oq3 h ILE 127 Cb 0.41 1.25 -0.07 0.00 -3.03 0.00 0.00 36.82 35.38 2oq3 h ILE 127 CO 0.01 0.41 0.37 -0.07 -0.68 0.00 0.00 178.15 178.19 2oq3 h LEU 128 N 0.58 0.50 -0.58 1.44 3.38 -0.78 0.09 115.31 119.94 2oq3 h LEU 128 Ca 0.10 0.05 -0.09 0.00 0.09 0.00 0.00 57.88 58.03 2oq3 h LEU 128 Cb 0.64 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.33 2oq3 h LEU 128 CO 0.04 0.30 0.02 -0.33 0.09 0.00 0.00 178.44 178.57 2oq3 h GLU 129 N 0.64 1.01 0.00 1.13 5.08 -1.39 0.17 114.58 121.22 2oq3 h GLU 129 Ca 0.34 -0.31 -0.09 0.00 -1.00 0.00 0.00 59.36 58.30 2oq3 h GLU 129 Cb 0.32 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 2oq3 h GLU 129 CO -0.24 0.99 -0.45 1.96 -1.00 0.00 0.00 179.01 180.27 2oq3 h GLN 130 N 0.90 0.00 0.06 2.33 4.20 -0.94 -0.30 115.11 121.36 2oq3 h GLN 130 Ca 0.17 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.87 2oq3 h GLN 130 Cb 0.52 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.30 2oq3 h GLN 130 CO 0.03 0.45 -0.03 -0.07 -0.67 0.00 0.00 178.83 178.54 2oq3 h LEU 131 N 0.00 -0.07 -2.60 1.46 3.38 -0.94 -3.07 115.31 113.48 2oq3 h LEU 131 Ca -0.00 -0.57 0.00 0.00 0.09 0.00 0.00 57.88 57.40 2oq3 h LEU 131 Cb 0.84 0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.61 2oq3 h LEU 131 CO 0.06 0.63 0.12 -0.07 0.09 0.00 0.00 178.44 179.27 2oq3 h LEU 132 N -0.87 0.00 -2.95 1.67 3.38 -0.31 -0.31 115.31 115.92 2oq3 h LEU 132 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2oq3 h LEU 132 Cb 0.63 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.38 2oq3 h LEU 132 CO 0.01 0.00 0.00 0.35 0.09 0.00 0.00 178.44 178.89 2oq3 n THR 133 N -3.11 1.10 -1.65 0.22 -2.24 -0.15 -5.01 114.28 103.43 2oq3 n THR 133 Ca -0.02 -1.09 -0.43 0.00 -2.27 0.00 0.00 64.05 60.24 2oq3 n THR 133 Cb 0.19 0.44 -0.03 0.00 -2.10 0.00 0.00 70.33 68.83 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 -1.16 2.81 -0.93 6.98 0.00 -0.13 -4.85 121.76 124.48 2oq3 s ALA 134 Ca 0.16 0.77 0.22 0.00 0.00 0.00 0.00 51.96 53.11 2oq3 s ALA 134 Cb 0.10 -4.05 0.91 0.00 0.00 0.00 0.00 23.12 20.08 2oq3 s ALA 134 CO 0.10 -2.68 1.69 0.43 0.00 0.00 0.00 175.76 175.30 2oq3 n SER 135 N 11.21 0.13 -3.54 0.00 7.64 -1.26 -4.86 113.62 122.95 2oq3 n SER 135 Ca 0.28 0.52 -0.16 0.00 1.01 0.00 0.00 58.87 60.53 2oq3 n SER 135 Cb 0.45 -0.55 -0.05 0.00 -1.01 0.00 0.00 64.21 63.04 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 -3.24 -0.55 0.39 6.43 1.04 -1.26 -5.05 113.70 111.45 2oq3 s SER 136 Ca 0.10 0.42 0.06 0.00 0.48 0.00 0.00 55.95 57.01 2oq3 s SER 136 Cb 0.13 0.52 0.80 0.00 0.10 0.00 0.00 66.02 67.57 2oq3 s SER 136 CO 0.41 -0.67 2.02 -0.33 0.98 0.00 0.00 173.24 175.65 2oq3 h GLU 137 N 2.88 0.64 -0.84 4.02 5.08 -1.95 -2.16 114.58 122.25 2oq3 h GLU 137 Ca -0.29 -0.04 0.17 0.00 -1.00 0.00 0.00 59.36 58.20 2oq3 h GLU 137 Cb 1.19 -0.14 -0.06 0.00 0.50 0.00 0.00 28.75 30.23 2oq3 h GLU 137 CO 0.40 0.42 0.55 1.57 -1.00 0.00 0.00 179.01 180.95 2oq3 h LYS 138 N 0.65 0.46 -0.09 2.33 5.09 -1.99 -1.78 116.57 121.25 2oq3 h LYS 138 Ca 0.21 -0.03 -0.18 0.00 0.09 0.00 0.00 60.65 60.74 2oq3 h LYS 138 Cb 0.04 -0.10 -0.01 0.00 0.10 0.00 0.00 32.23 32.26 2oq3 h LYS 138 CO -0.05 0.31 -0.70 0.37 -2.09 0.00 0.00 179.45 177.28 2oq3 h GLN 139 N 0.48 0.40 -0.33 0.07 5.75 -1.80 -0.07 115.11 119.62 2oq3 h GLN 139 Ca 0.43 -0.32 -0.01 0.00 -0.15 0.00 0.00 58.65 58.60 2oq3 h GLN 139 Cb 0.93 0.06 -0.02 0.00 1.07 0.00 0.00 27.48 29.53 2oq3 h GLN 139 CO -0.16 0.95 0.17 -0.07 -2.65 0.00 0.00 178.83 177.07 2oq3 h LEU 140 N 0.28 0.42 -1.73 -2.39 4.07 -1.43 -1.90 115.31 112.62 2oq3 h LEU 140 Ca -0.02 -0.10 -0.03 0.00 0.08 0.00 0.00 57.88 57.80 2oq3 h LEU 140 Cb 1.27 -0.11 -0.00 0.00 1.08 0.00 0.00 40.66 42.90 2oq3 h LEU 140 CO 0.12 0.40 -0.13 0.00 -1.08 0.00 0.00 178.44 177.75 2oq3 h ALA 141 N 1.03 1.77 -0.24 1.53 0.00 -1.27 -0.65 119.26 121.43 2oq3 h ALA 141 Ca 0.11 -0.12 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 2oq3 h ALA 141 Cb 0.08 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 2oq3 h ALA 141 CO -0.02 0.17 -0.13 0.22 0.00 0.00 0.00 179.25 179.49 2oq3 h ASP 142 N 0.00 0.53 -0.72 0.00 3.58 -0.63 -0.95 116.42 118.22 2oq3 h ASP 142 Ca -0.00 -0.42 -0.03 0.00 0.42 0.00 0.00 57.03 57.00 2oq3 h ASP 142 Cb 0.24 -0.15 -0.03 0.00 1.72 0.00 0.00 39.33 41.11 2oq3 h ASP 142 CO 0.02 0.84 0.34 0.40 -2.88 0.00 0.00 179.24 177.96 2oq3 h ILE 143 N 0.23 1.24 0.28 2.25 2.04 -0.80 -0.71 117.51 122.04 2oq3 h ILE 143 Ca 0.05 -0.68 0.00 0.00 1.00 0.00 0.00 64.86 65.23 2oq3 h ILE 143 Cb 0.65 0.30 -0.03 0.00 -0.74 0.00 0.00 36.82 37.01 2oq3 h ILE 143 CO 0.04 0.29 -0.33 0.40 0.00 0.00 0.00 178.15 178.54 2oq3 h ILE 144 N 1.05 0.30 0.00 -0.67 1.08 -1.07 -3.11 117.51 115.10 2oq3 h ILE 144 Ca 0.25 0.00 -0.03 0.00 -0.39 0.00 0.00 64.86 64.69 2oq3 h ILE 144 Cb 0.13 0.30 -0.00 0.00 -3.07 0.00 0.00 36.82 34.18 2oq3 h ILE 144 CO -0.03 0.00 -0.14 0.28 -0.69 0.00 0.00 178.15 177.57 2oq3 h SER 145 N -0.66 0.00 -0.08 1.72 0.02 -0.23 -0.74 113.55 113.57 2oq3 h SER 145 Ca -0.01 0.00 0.02 0.00 -0.84 0.00 0.00 61.79 60.97 2oq3 h SER 145 Cb 0.62 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.16 2oq3 h SER 145 CO -0.09 0.14 0.07 -0.09 -1.14 0.00 0.00 176.83 175.72 2oq3 h ARG 146 N 0.00 0.00 -0.02 3.45 2.43 -1.09 -3.49 114.38 115.66 2oq3 h ARG 146 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2oq3 h ARG 146 Cb 0.33 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.88 2oq3 h ARG 146 CO 0.02 0.00 0.00 0.41 -1.51 0.00 0.00 179.97 178.89