#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 3.25 0.27 2.12 3.00 -1.26 -4.86 118.95 121.47 2oq3 s ARG 2 Ca 0.00 1.48 -0.00 0.00 0.00 0.00 0.00 55.73 57.21 2oq3 s ARG 2 Cb 0.00 -4.24 0.56 0.00 0.00 0.00 0.00 34.95 31.27 2oq3 s ARG 2 CO 0.00 -1.96 1.77 -0.07 0.00 0.00 0.00 175.30 175.04 2oq3 h LEU 3 N 14.12 0.59 -2.14 2.53 -0.00 -1.93 -1.76 115.31 126.72 2oq3 h LEU 3 Ca -0.34 0.09 0.04 0.00 -0.00 0.00 0.00 57.88 57.67 2oq3 h LEU 3 Cb 1.18 -0.01 -0.01 0.00 -0.00 0.00 0.00 40.66 41.83 2oq3 h LEU 3 CO 1.03 0.25 0.30 0.28 -0.00 0.00 0.00 178.44 180.30 2oq3 h SER 4 N 0.66 0.00 0.38 -0.43 0.02 -1.89 -0.86 113.55 111.42 2oq3 h SER 4 Ca 0.48 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 61.39 2oq3 h SER 4 Cb 0.67 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.21 2oq3 h SER 4 CO -0.36 0.00 -0.20 -0.78 -1.14 0.00 0.00 176.83 174.36 2oq3 h ASP 5 N 0.00 0.00 0.31 3.07 3.58 -1.71 -3.26 116.42 118.41 2oq3 h ASP 5 Ca 0.06 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.51 2oq3 h ASP 5 Cb 0.66 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.71 2oq3 h ASP 5 CO -0.00 0.20 -1.59 -1.22 -2.88 0.00 0.00 179.24 173.74 2oq3 n TYR 6 N -3.85 0.29 -3.39 0.28 4.02 -0.33 -4.87 117.16 109.31 2oq3 n TYR 6 Ca -0.02 0.09 -0.42 0.00 -0.01 0.00 0.00 57.90 57.54 2oq3 n TYR 6 Cb 0.29 -0.60 -0.09 0.00 -0.02 0.00 0.00 39.34 38.92 2oq3 n TYR 6 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 176.86 175.79 2oq3 s PHE 7 N -3.43 3.20 0.48 -0.72 0.40 -1.23 -0.27 117.98 116.41 2oq3 s PHE 7 Ca -0.04 -0.25 -0.08 0.00 -0.60 0.00 0.00 56.93 55.96 2oq3 s PHE 7 Cb 0.13 -2.72 0.12 0.00 0.51 0.00 0.00 43.02 41.07 2oq3 s PHE 7 CO 0.87 -0.54 0.29 -2.30 0.70 0.00 0.00 175.22 174.23 2oq3 n PRO 8 N 5.40 -2.87 -2.43 0.24 -0.02 -1.26 -4.94 135.00 129.13 2oq3 n PRO 8 Ca -0.09 -0.48 -0.37 0.00 -2.02 0.00 0.00 63.50 60.54 2oq3 n PRO 8 Cb 0.48 -0.62 -0.03 0.00 -0.02 0.00 0.00 33.50 33.32 2oq3 n PRO 8 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 2oq3 s GLU 9 N -3.69 4.05 -1.03 -0.52 2.12 -1.26 -3.30 118.70 115.08 2oq3 s GLU 9 Ca 0.22 1.64 0.00 0.00 0.36 0.00 0.00 54.97 57.19 2oq3 s GLU 9 Cb -0.04 -2.55 0.00 0.00 0.26 0.00 0.00 34.13 31.81 2oq3 s GLU 9 CO 0.18 -0.27 0.00 0.43 -0.54 0.00 0.00 175.26 175.07 2oq3 n SER 10 N -0.12 -3.10 0.00 -1.70 7.64 -1.26 -4.82 113.62 110.26 2oq3 n SER 10 Ca 0.05 0.25 0.10 0.00 1.01 0.00 0.00 58.87 60.29 2oq3 n SER 10 Cb 0.49 -2.83 0.47 0.00 -1.01 0.00 0.00 64.21 61.32 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 -0.88 0.00 -4.41 6.43 3.41 -1.21 -4.74 113.62 112.22 2oq3 n SER 11 Ca -0.11 0.38 -0.32 0.00 -0.26 0.00 0.00 58.87 58.55 2oq3 n SER 11 Cb 0.46 -0.45 -0.14 0.00 -0.26 0.00 0.00 64.21 63.81 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 -2.90 2.83 0.05 -1.33 1.09 -1.26 -1.31 121.20 118.36 2oq3 s ILE 12 Ca 0.12 -0.79 -0.07 0.00 -1.10 0.00 0.00 60.65 58.82 2oq3 s ILE 12 Cb 0.14 -2.11 -0.01 0.00 -1.06 0.00 0.00 42.46 39.42 2oq3 s ILE 12 CO 0.37 0.57 0.13 -0.44 -0.10 0.00 0.00 174.94 175.47 2oq3 s SER 13 N -0.38 0.16 0.03 3.58 0.01 0.17 -4.91 113.70 112.35 2oq3 s SER 13 Ca 0.04 -0.55 0.05 0.00 1.31 0.00 0.00 55.95 56.79 2oq3 s SER 13 Cb -0.12 0.26 -0.02 0.00 0.21 0.00 0.00 66.02 66.35 2oq3 s SER 13 CO 0.02 -0.57 -0.14 -0.69 0.41 0.00 0.00 173.24 172.27 2oq3 s VAL 14 N -2.94 1.13 0.01 3.43 1.01 -1.26 -2.34 120.40 119.45 2oq3 s VAL 14 Ca -0.02 -0.93 -0.05 0.00 0.00 0.00 0.00 61.98 60.98 2oq3 s VAL 14 Cb 0.01 -1.01 -0.01 0.00 0.00 0.00 0.00 36.38 35.37 2oq3 s VAL 14 CO -0.06 0.08 0.09 -0.63 0.00 0.00 0.00 175.10 174.57 2oq3 s ILE 15 N -0.74 0.09 -0.05 2.22 1.01 0.01 -4.95 121.20 118.79 2oq3 s ILE 15 Ca 0.03 -0.77 -0.25 0.00 0.00 0.00 0.00 60.65 59.66 2oq3 s ILE 15 Cb -0.07 -0.39 -0.23 0.00 0.01 0.00 0.00 42.46 41.78 2oq3 s ILE 15 CO 0.01 -0.42 1.06 -0.74 0.00 0.00 0.00 174.94 174.84 2oq3 h HIS 16 N 4.37 0.19 -2.00 3.97 -0.00 -1.94 -0.36 115.15 119.37 2oq3 h HIS 16 Ca -0.31 -0.10 -0.05 0.00 -0.00 0.00 0.00 60.37 59.91 2oq3 h HIS 16 Cb 1.20 -0.03 -0.20 0.00 -0.00 0.00 0.00 27.41 28.38 2oq3 h HIS 16 CO 0.61 0.86 0.15 -1.54 -0.00 0.00 0.00 177.93 178.02 2oq3 s SER 17 N -6.19 -0.71 0.66 3.26 1.04 -1.26 -0.83 113.70 109.67 2oq3 s SER 17 Ca -0.16 1.14 -0.11 0.00 0.48 0.00 0.00 55.95 57.30 2oq3 s SER 17 Cb 0.01 1.08 -0.01 0.00 0.10 0.00 0.00 66.02 67.19 2oq3 s SER 17 CO 0.72 -0.40 1.06 0.00 0.98 0.00 0.00 173.24 175.60 2oq3 s ALA 18 N -0.28 3.01 0.19 5.32 0.00 -1.26 -4.99 121.76 123.76 2oq3 s ALA 18 Ca -0.05 -0.22 -0.12 0.00 0.00 0.00 0.00 51.96 51.58 2oq3 s ALA 18 Cb -0.03 -3.04 0.13 0.00 0.00 0.00 0.00 23.12 20.18 2oq3 s ALA 18 CO 0.05 -0.89 1.85 -0.22 0.00 0.00 0.00 175.76 176.55 2oq3 h LYS 19 N -0.46 0.81 0.00 0.00 1.63 -1.99 -3.47 116.57 113.08 2oq3 h LYS 19 Ca -0.44 -0.05 0.11 0.00 -0.85 0.00 0.00 60.65 59.41 2oq3 h LYS 19 Cb 1.22 -0.18 -0.02 0.00 -0.60 0.00 0.00 32.23 32.65 2oq3 h LYS 19 CO 0.63 0.53 0.44 -0.40 -3.45 0.00 0.00 179.45 177.21 2oq3 n ASP 20 N -4.67 -1.50 0.09 4.20 5.75 -1.26 -5.00 116.55 114.15 2oq3 n ASP 20 Ca 0.06 -1.84 0.02 0.00 -0.01 0.00 0.00 54.79 53.02 2oq3 n ASP 20 Cb 0.05 2.45 0.36 0.00 -1.03 0.00 0.00 41.12 42.95 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 1.81 0.33 0.23 2.11 5.08 -1.91 0.94 115.95 124.54 2oq3 h TRP 21 Ca -0.23 -0.04 -0.01 0.00 1.08 0.00 0.00 58.89 59.69 2oq3 h TRP 21 Cb 0.99 -0.09 -0.00 0.00 -3.00 0.00 0.00 29.16 27.05 2oq3 h TRP 21 CO 0.00 0.42 -0.14 1.96 -1.28 0.00 0.00 178.44 179.40 2oq3 h GLN 22 N 0.30 -0.34 -0.66 0.12 4.20 -1.97 -1.68 115.11 115.08 2oq3 h GLN 22 Ca 0.06 0.02 0.01 0.00 0.06 0.00 0.00 58.65 58.80 2oq3 h GLN 22 Cb 0.37 0.08 -0.03 0.00 0.30 0.00 0.00 27.48 28.20 2oq3 h GLN 22 CO 0.02 -0.23 0.44 1.49 -0.67 0.00 0.00 178.83 179.88 2oq3 h GLU 23 N -0.36 0.87 -0.01 1.46 4.57 -1.85 -1.56 114.58 117.70 2oq3 h GLU 23 Ca -0.02 -0.05 -0.05 0.00 -1.18 0.00 0.00 59.36 58.05 2oq3 h GLU 23 Cb 0.30 -0.20 -0.01 0.00 -0.16 0.00 0.00 28.75 28.68 2oq3 h GLU 23 CO 0.03 0.58 -0.22 0.00 -1.18 0.00 0.00 179.01 178.21 2oq3 h ALA 24 N 1.58 1.61 -0.10 2.92 0.00 -0.42 0.15 119.26 125.01 2oq3 h ALA 24 Ca 0.24 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 2oq3 h ALA 24 Cb -0.10 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.65 2oq3 h ALA 24 CO -0.05 0.29 -0.07 0.82 0.00 0.00 0.00 179.25 180.24 2oq3 h ILE 25 N 0.02 1.34 -0.40 0.00 2.04 -0.36 -0.05 117.51 120.10 2oq3 h ILE 25 Ca 0.00 -1.16 0.06 0.00 1.00 0.00 0.00 64.86 64.75 2oq3 h ILE 25 Cb 0.41 1.90 -0.05 0.00 -0.74 0.00 0.00 36.82 38.34 2oq3 h ILE 25 CO 0.03 0.33 0.10 -0.78 0.00 0.00 0.00 178.15 177.83 2oq3 h ASP 26 N -0.16 0.07 -0.29 1.72 3.58 -0.92 -0.18 116.42 120.24 2oq3 h ASP 26 Ca 0.02 0.06 -0.01 0.00 0.42 0.00 0.00 57.03 57.51 2oq3 h ASP 26 Cb 0.56 0.07 -0.02 0.00 1.72 0.00 0.00 39.33 41.66 2oq3 h ASP 26 CO 0.02 0.07 0.14 -0.26 -2.88 0.00 0.00 179.24 176.33 2oq3 h PHE 27 N 0.24 0.45 0.00 0.28 0.04 -0.73 0.19 116.94 117.42 2oq3 h PHE 27 Ca 0.19 -0.01 -0.05 0.00 2.80 0.00 0.00 57.97 60.90 2oq3 h PHE 27 Cb 0.20 -0.14 -0.01 0.00 2.20 0.00 0.00 35.95 38.20 2oq3 h PHE 27 CO -0.18 0.35 -0.24 0.77 -0.60 0.00 0.00 178.31 178.41 2oq3 h SER 28 N 0.46 0.00 0.00 2.17 0.02 0.78 -3.34 113.55 113.64 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 0.08 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.62 2oq3 h SER 28 CO -0.01 0.24 -0.60 0.23 -1.14 0.00 0.00 176.83 175.55 2oq3 n MET 29 N -4.25 3.41 -0.03 3.45 2.81 -0.67 -4.44 117.12 117.41 2oq3 n MET 29 Ca -0.02 -0.02 0.07 0.00 -1.81 0.00 0.00 57.70 55.92 2oq3 n MET 29 Cb 0.30 -0.86 0.46 0.00 -0.71 0.00 0.00 33.22 32.40 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 1.02 -0.49 2.03 3.04 -0.77 -0.11 116.25 120.98 2oq3 h VAL 30 Ca 0.00 -0.17 -0.08 0.00 -1.01 0.00 0.00 66.70 65.44 2oq3 h VAL 30 Cb 0.14 0.49 -0.02 0.00 -2.01 0.00 0.00 31.29 29.89 2oq3 h VAL 30 CO 0.00 0.09 -0.03 0.77 -1.01 0.00 0.00 177.57 177.39 2oq3 h SER 31 N 0.49 0.82 -0.05 3.17 4.64 -1.85 0.58 113.55 121.35 2oq3 h SER 31 Ca 0.20 -0.22 -0.19 0.00 -0.47 0.00 0.00 61.79 61.11 2oq3 h SER 31 Cb 0.17 -0.22 -0.00 0.00 -0.31 0.00 0.00 62.40 62.04 2oq3 h SER 31 CO -0.05 0.90 -0.64 -0.07 -0.87 0.00 0.00 176.83 176.11 2oq3 h LEU 32 N 0.78 0.76 -0.57 5.97 3.38 -1.51 -2.73 115.31 121.39 2oq3 h LEU 32 Ca 0.14 -0.45 0.00 0.00 0.09 0.00 0.00 57.88 57.67 2oq3 h LEU 32 Cb 0.52 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.02 2oq3 h LEU 32 CO 0.03 1.21 0.36 0.25 0.09 0.00 0.00 178.44 180.37 2oq3 h LEU 33 N 0.49 0.67 -0.37 1.67 5.85 -0.60 0.16 115.31 123.18 2oq3 h LEU 33 Ca -0.01 -0.04 -0.03 0.00 0.84 0.00 0.00 57.88 58.64 2oq3 h LEU 33 Cb 1.22 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 42.07 2oq3 h LEU 33 CO 0.13 0.51 0.12 -0.78 -0.34 0.00 0.00 178.44 178.07 2oq3 h ASP 34 N 0.76 0.54 -0.02 1.25 3.58 -0.85 -1.44 116.42 120.25 2oq3 h ASP 34 Ca 0.20 -0.20 0.00 0.00 0.42 0.00 0.00 57.03 57.46 2oq3 h ASP 34 Cb -0.05 -0.14 0.00 0.00 1.72 0.00 0.00 39.33 40.86 2oq3 h ASP 34 CO -0.04 0.60 0.00 0.29 -2.88 0.00 0.00 179.24 177.20 2oq3 n LYS 35 N -4.63 1.05 -4.31 0.28 4.01 -1.04 -4.90 118.16 108.62 2oq3 n LYS 35 Ca -0.01 -0.06 -0.36 0.00 -0.51 0.00 0.00 58.31 57.37 2oq3 n LYS 35 Cb 0.17 -1.14 -0.06 0.00 -0.51 0.00 0.00 35.03 33.49 2oq3 n LYS 35 CO 0.00 0.00 0.00 0.27 -1.11 0.00 0.00 177.40 176.56 2oq3 n ASN 36 N -0.33 -1.66 0.17 4.39 0.23 -0.54 -4.85 115.26 112.67 2oq3 n ASN 36 Ca 0.01 -1.14 0.13 0.00 -0.53 0.00 0.00 54.58 53.05 2oq3 n ASN 36 Cb 0.08 -2.21 0.42 0.00 -2.08 0.00 0.00 39.78 35.98 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 -1.39 0.00 -4.27 -2.53 -1.99 -0.92 -3.42 116.97 102.45 2oq3 h TYR 37 Ca -0.61 0.00 -0.24 0.00 2.00 0.00 0.00 58.73 59.88 2oq3 h TYR 37 Cb 1.39 0.00 -0.11 0.00 2.00 0.00 0.00 36.73 40.01 2oq3 h TYR 37 CO 0.62 0.00 -0.35 0.96 -0.00 0.00 0.00 178.16 179.39 2oq3 s ILE 38 N -3.29 0.00 0.31 -2.88 -4.36 -1.24 -0.47 121.20 109.28 2oq3 s ILE 38 Ca 0.06 -1.74 0.09 0.00 -0.26 0.00 0.00 60.65 58.81 2oq3 s ILE 38 Cb 0.09 -2.47 -0.05 0.00 1.25 0.00 0.00 42.46 41.28 2oq3 s ILE 38 CO 0.56 0.00 0.01 -0.44 0.24 0.00 0.00 174.94 175.32 2oq3 s SER 39 N -3.18 4.33 0.42 4.36 0.01 -0.13 -4.66 113.70 114.86 2oq3 s SER 39 Ca 0.33 -0.85 0.09 0.00 1.31 0.00 0.00 55.95 56.83 2oq3 s SER 39 Cb 0.02 -0.64 0.91 0.00 0.21 0.00 0.00 66.02 66.52 2oq3 s SER 39 CO 0.16 -0.15 2.03 -0.33 0.41 0.00 0.00 173.24 175.36 2oq3 h GLU 40 N 1.82 0.36 -0.25 12.44 5.08 -1.95 -1.05 114.58 131.03 2oq3 h GLU 40 Ca -0.43 -0.04 0.05 0.00 -1.00 0.00 0.00 59.36 57.94 2oq3 h GLU 40 Cb 1.25 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.42 2oq3 h GLU 40 CO 0.64 0.30 0.17 -0.97 -1.00 0.00 0.00 179.01 178.15 2oq3 h ASN 41 N 0.37 0.10 -0.38 1.42 -1.24 -1.94 -2.59 115.58 111.31 2oq3 h ASN 41 Ca 0.09 -0.00 0.02 0.00 0.71 0.00 0.00 56.30 57.12 2oq3 h ASN 41 Cb 0.07 -0.02 -0.03 0.00 0.73 0.00 0.00 38.32 39.08 2oq3 h ASN 41 CO -0.01 0.06 0.22 0.22 -1.29 0.00 0.00 177.43 176.63 2oq3 h TYR 42 N 0.11 0.41 -0.30 0.67 3.20 -1.05 0.13 116.97 120.15 2oq3 h TYR 42 Ca 0.11 0.01 0.04 0.00 3.14 0.00 0.00 58.73 62.04 2oq3 h TYR 42 Cb 0.31 -0.13 -0.04 0.00 1.54 0.00 0.00 36.73 38.41 2oq3 h TYR 42 CO -0.00 0.24 0.07 0.82 -1.64 0.00 0.00 178.16 177.65 2oq3 h ILE 43 N 0.44 0.87 0.00 1.81 5.03 -1.59 -2.41 117.51 121.66 2oq3 h ILE 43 Ca 0.15 -0.06 -0.06 0.00 -0.12 0.00 0.00 64.86 64.76 2oq3 h ILE 43 Cb 0.01 0.67 -0.01 0.00 -3.03 0.00 0.00 36.82 34.46 2oq3 h ILE 43 CO -0.07 0.03 -0.29 -0.61 -0.68 0.00 0.00 178.15 176.53 2oq3 h GLN 44 N 0.19 0.00 -0.70 2.37 5.75 -1.30 -2.24 115.11 119.18 2oq3 h GLN 44 Ca 0.14 0.00 -0.06 0.00 -0.15 0.00 0.00 58.65 58.58 2oq3 h GLN 44 Cb 0.14 0.00 -0.03 0.00 1.07 0.00 0.00 27.48 28.66 2oq3 h GLN 44 CO -0.17 0.29 0.19 0.00 -2.65 0.00 0.00 178.83 176.49 2oq3 h ALA 45 N 1.71 1.02 -0.21 3.38 0.00 -0.50 0.14 119.26 124.80 2oq3 h ALA 45 Ca -0.00 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 54.64 2oq3 h ALA 45 Cb 0.69 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 2oq3 h ALA 45 CO 0.04 0.65 -0.01 0.82 0.00 0.00 0.00 179.25 180.74 2oq3 h ILE 46 N 1.04 1.26 -0.67 0.00 2.04 -1.19 -1.13 117.51 118.87 2oq3 h ILE 46 Ca 0.22 -0.92 -0.02 0.00 1.00 0.00 0.00 64.86 65.14 2oq3 h ILE 46 Cb 0.33 1.44 -0.03 0.00 -0.74 0.00 0.00 36.82 37.83 2oq3 h ILE 46 CO -0.00 0.28 0.34 0.11 0.00 0.00 0.00 178.15 178.88 2oq3 h LYS 47 N 0.14 0.95 -0.64 2.37 1.57 -1.18 -0.56 116.57 119.22 2oq3 h LYS 47 Ca 0.06 -0.13 -0.06 0.00 -1.87 0.00 0.00 60.65 58.65 2oq3 h LYS 47 Cb 0.42 -0.18 -0.03 0.00 0.08 0.00 0.00 32.23 32.53 2oq3 h LYS 47 CO 0.01 0.74 0.16 0.22 -0.57 0.00 0.00 179.45 180.01 2oq3 h ASP 48 N 0.92 0.95 -0.78 0.86 3.58 -0.62 0.18 116.42 121.50 2oq3 h ASP 48 Ca 0.23 -0.19 -0.04 0.00 0.42 0.00 0.00 57.03 57.46 2oq3 h ASP 48 Cb 0.09 -0.25 -0.03 0.00 1.72 0.00 0.00 39.33 40.86 2oq3 h ASP 48 CO -0.03 0.91 0.33 0.28 -2.88 0.00 0.00 179.24 177.85 2oq3 h SER 49 N 0.96 1.06 -0.77 2.28 0.02 -0.82 -0.64 113.55 115.64 2oq3 h SER 49 Ca 0.20 -0.16 -0.02 0.00 -0.84 0.00 0.00 61.79 60.98 2oq3 h SER 49 Cb 0.33 -0.27 -0.04 0.00 0.14 0.00 0.00 62.40 62.56 2oq3 h SER 49 CO -0.00 0.92 0.43 0.74 -1.14 0.00 0.00 176.83 177.78 2oq3 h THR 50 N 1.12 1.23 -0.37 -2.27 2.02 -0.25 -2.17 112.91 112.22 2oq3 h THR 50 Ca 0.26 -0.57 -0.03 0.00 0.77 0.00 0.00 66.41 66.84 2oq3 h THR 50 Cb 0.18 0.17 -0.02 0.00 -1.74 0.00 0.00 68.15 66.75 2oq3 h THR 50 CO -0.03 0.26 0.10 0.40 0.37 0.00 0.00 175.52 176.62 2oq3 h ILE 51 N 1.09 1.22 -0.52 3.11 2.04 -0.48 -0.39 117.51 123.58 2oq3 h ILE 51 Ca 0.28 -0.75 -0.08 0.00 1.00 0.00 0.00 64.86 65.32 2oq3 h ILE 51 Cb 0.03 1.00 -0.02 0.00 -0.74 0.00 0.00 36.82 37.09 2oq3 h ILE 51 CO -0.04 0.26 0.02 0.78 0.00 0.00 0.00 178.15 179.16 2oq3 h ASN 52 N 0.45 0.83 0.00 1.72 2.35 -0.53 -3.38 115.58 117.03 2oq3 h ASN 52 Ca 0.12 -0.20 0.00 0.00 -0.55 0.00 0.00 56.30 55.67 2oq3 h ASN 52 Cb 0.29 -0.22 0.00 0.00 0.05 0.00 0.00 38.32 38.44 2oq3 h ASN 52 CO -0.00 0.88 0.00 -3.20 -1.65 0.00 0.00 177.43 173.46 2oq3 n ASN 53 N -4.21 0.00 0.00 5.81 5.15 -0.91 -5.10 115.26 115.99 2oq3 n ASN 53 Ca 0.03 -0.04 0.00 0.00 -0.60 0.00 0.00 54.58 53.97 2oq3 n ASN 53 Cb 0.30 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.55 2oq3 n ASN 53 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2oq3 n GLY 54 N 0.00 0.42 3.77 8.20 0.00 -0.16 -4.98 105.19 112.44 2oq3 n GLY 54 Ca 0.00 -2.06 -0.41 0.00 0.00 0.00 0.00 46.02 43.55 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 0.20 2.62 -0.01 1.61 -0.04 -1.26 -3.96 135.00 134.15 2oq3 n PRO 55 Ca 0.00 0.92 0.00 0.00 -0.04 0.00 0.00 63.50 64.38 2oq3 n PRO 55 Cb 0.00 -2.66 0.00 0.00 -0.04 0.00 0.00 33.50 30.80 2oq3 n PRO 55 CO 0.00 0.00 0.00 2.48 -0.04 0.00 0.00 175.50 177.94 2oq3 n TYR 56 N 0.34 0.00 -3.58 0.54 4.11 -1.26 -4.80 117.16 112.52 2oq3 n TYR 56 Ca 0.02 -0.35 -0.29 0.00 -0.00 0.00 0.00 57.90 57.28 2oq3 n TYR 56 Cb 0.39 -0.04 -0.12 0.00 -0.00 0.00 0.00 39.34 39.57 2oq3 n TYR 56 CO 0.00 0.00 0.00 0.71 -0.00 0.00 0.00 176.86 177.57 2oq3 s TYR 57 N -0.73 1.42 -0.03 -3.48 2.02 -1.26 -5.07 117.35 110.21 2oq3 s TYR 57 Ca 0.01 -2.13 0.01 0.00 -0.37 0.00 0.00 57.07 54.59 2oq3 s TYR 57 Cb 0.01 -1.40 0.02 0.00 -0.40 0.00 0.00 41.96 40.19 2oq3 s TYR 57 CO 0.00 -0.80 -0.03 0.42 -1.57 0.00 0.00 175.55 173.57 2oq3 s ILE 58 N 0.52 0.41 0.00 2.71 -1.09 -1.26 -1.06 121.20 121.42 2oq3 s ILE 58 Ca 0.20 -0.09 0.00 0.00 -2.23 0.00 0.00 60.65 58.54 2oq3 s ILE 58 Cb -0.19 -0.43 0.00 0.00 -1.58 0.00 0.00 42.46 40.26 2oq3 s ILE 58 CO -0.03 0.18 0.00 0.18 -1.23 0.00 0.00 174.94 174.04 2oq3 n LEU 59 N 3.83 0.00 -3.71 2.97 7.99 -0.80 -4.96 117.00 122.31 2oq3 n LEU 59 Ca -0.23 0.00 -0.09 0.00 -0.01 0.00 0.00 56.01 55.67 2oq3 n LEU 59 Cb 0.52 0.00 -0.03 0.00 -0.11 0.00 0.00 43.42 43.80 2oq3 n LEU 59 CO 0.24 0.00 0.35 0.00 -1.51 0.00 0.00 177.39 176.46 2oq3 s ALA 60 N -1.65 -1.12 -0.01 -1.18 0.00 -1.17 -4.95 121.76 111.69 2oq3 s ALA 60 Ca 0.00 -0.12 -0.37 0.00 0.00 0.00 0.00 51.96 51.47 2oq3 s ALA 60 Cb 0.00 0.87 -0.16 0.00 0.00 0.00 0.00 23.12 23.83 2oq3 s ALA 60 CO 0.00 -0.86 1.50 -2.30 0.00 0.00 0.00 175.76 174.10 2oq3 n PRO 61 N -0.38 1.32 -0.95 0.00 -0.02 -1.26 -1.52 135.00 132.20 2oq3 n PRO 61 Ca -0.10 0.48 0.00 0.00 -2.02 0.00 0.00 63.50 61.86 2oq3 n PRO 61 Cb 0.62 -2.16 0.00 0.00 -0.02 0.00 0.00 33.50 31.94 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 3.15 0.79 2.86 -1.23 0.00 -1.26 -4.98 105.19 104.52 2oq3 n GLY 62 Ca 0.20 0.00 -0.27 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 -3.29 0.88 0.33 1.61 1.01 -0.57 -1.03 120.40 119.33 2oq3 s VAL 63 Ca 0.00 -0.36 0.10 0.00 0.00 0.00 0.00 61.98 61.72 2oq3 s VAL 63 Cb 0.00 -1.03 -0.06 0.00 0.00 0.00 0.00 36.38 35.29 2oq3 s VAL 63 CO 0.00 0.20 -0.10 0.00 0.00 0.00 0.00 175.10 175.20 2oq3 s ALA 64 N 1.75 2.95 -0.43 5.51 0.00 -0.26 -1.91 121.76 129.36 2oq3 s ALA 64 Ca 0.03 -2.01 0.10 0.00 0.00 0.00 0.00 51.96 50.08 2oq3 s ALA 64 Cb -0.14 -0.17 0.34 0.00 0.00 0.00 0.00 23.12 23.15 2oq3 s ALA 64 CO -0.07 0.13 0.78 -0.12 0.00 0.00 0.00 175.76 176.48 2oq3 n MET 65 N -0.78 1.61 -1.60 0.00 0.00 -0.23 -2.02 117.12 114.10 2oq3 n MET 65 Ca -0.05 -3.81 -0.39 0.00 0.00 0.00 0.00 57.70 53.46 2oq3 n MET 65 Cb 0.62 -1.84 0.04 0.00 0.00 0.00 0.00 33.22 32.04 2oq3 n MET 65 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 175.97 175.62 2oq3 n PRO 66 N 0.20 1.03 0.00 2.12 -0.04 -1.01 -4.71 135.00 132.59 2oq3 n PRO 66 Ca 0.27 0.39 0.00 0.00 -0.04 0.00 0.00 63.50 64.11 2oq3 n PRO 66 Cb 0.58 -2.11 0.00 0.00 -0.04 0.00 0.00 33.50 31.93 2oq3 n PRO 66 CO 0.00 0.00 0.00 1.58 -0.04 0.00 0.00 175.50 177.04 2oq3 n HIS 67 N -1.34 0.00 -4.13 0.54 -0.00 -1.26 -1.79 115.22 107.24 2oq3 n HIS 67 Ca 0.12 0.00 -0.09 0.00 -0.00 0.00 0.00 57.72 57.75 2oq3 n HIS 67 Cb 0.45 0.00 -0.10 0.00 -0.00 0.00 0.00 29.99 30.34 2oq3 n HIS 67 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2oq3 s ALA 68 N -2.00 0.77 0.40 1.57 0.00 -1.26 -4.76 121.76 116.47 2oq3 s ALA 68 Ca 0.00 -1.25 -0.25 0.00 0.00 0.00 0.00 51.96 50.47 2oq3 s ALA 68 Cb 0.00 0.19 -0.11 0.00 0.00 0.00 0.00 23.12 23.20 2oq3 s ALA 68 CO 0.00 -0.27 0.94 0.54 0.00 0.00 0.00 175.76 176.97 2oq3 n ARG 69 N 0.15 1.22 -0.31 0.00 1.74 -1.26 -4.81 116.66 113.38 2oq3 n ARG 69 Ca -0.14 0.44 0.14 0.00 -0.77 0.00 0.00 57.85 57.52 2oq3 n ARG 69 Cb 0.60 -1.92 0.33 0.00 -1.02 0.00 0.00 32.46 30.45 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 1.50 0.42 0.00 5.56 0.11 -1.93 -0.26 132.00 137.40 2oq3 h PRO 70 Ca -0.43 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.66 2oq3 h PRO 70 Cb 1.35 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.36 2oq3 h PRO 70 CO 0.57 0.28 0.00 -0.85 -0.21 0.00 0.00 178.00 177.78 2oq3 n GLU 71 N -5.02 0.11 0.00 1.05 0.28 -1.26 -0.78 120.64 115.02 2oq3 n GLU 71 Ca 0.23 0.55 0.13 0.00 -0.16 0.00 0.00 57.16 57.91 2oq3 n GLU 71 Cb 0.69 -1.81 0.65 0.00 1.43 0.00 0.00 31.44 32.40 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 0.97 0.55 3.77 0.00 0.00 -0.84 -2.89 105.19 106.74 2oq3 n GLY 73 Ca 0.12 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.71 2.83 0.00 4.61 0.00 0.04 -0.95 121.76 127.58 2oq3 s ALA 74 Ca 0.00 0.89 0.00 0.00 0.00 0.00 0.00 51.96 52.85 2oq3 s ALA 74 Cb 0.00 -3.38 0.00 0.00 0.00 0.00 0.00 23.12 19.74 2oq3 s ALA 74 CO 0.00 -0.73 0.00 1.28 0.00 0.00 0.00 175.76 176.31 2oq3 n LEU 75 N -0.89 0.96 -4.00 0.00 4.77 0.38 -4.86 117.00 113.36 2oq3 n LEU 75 Ca 0.09 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 56.00 2oq3 n LEU 75 Cb 0.49 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.49 2oq3 n LEU 75 CO 0.45 0.16 -0.27 -0.54 -1.33 0.00 0.00 177.39 175.86 2oq3 s LYS 76 N -1.62 0.66 -0.18 3.23 1.02 -0.61 -4.78 119.74 117.46 2oq3 s LYS 76 Ca 0.00 -1.06 -0.19 0.00 0.02 0.00 0.00 55.97 54.74 2oq3 s LYS 76 Cb 0.00 0.24 -0.03 0.00 -0.52 0.00 0.00 37.83 37.52 2oq3 s LYS 76 CO 0.00 -0.15 0.54 0.99 -0.92 0.00 0.00 175.35 175.80 2oq3 s THR 77 N -3.61 5.10 0.10 2.17 2.01 -1.26 -3.91 115.64 116.25 2oq3 s THR 77 Ca 0.04 1.01 -0.25 0.00 0.31 0.00 0.00 61.69 62.80 2oq3 s THR 77 Cb 0.05 -3.86 0.08 0.00 0.01 0.00 0.00 72.50 68.78 2oq3 s THR 77 CO -0.09 0.19 1.15 -0.83 -0.69 0.00 0.00 174.62 174.35 2oq3 s GLY 78 N 1.07 0.03 0.18 4.40 0.00 0.13 -4.97 107.32 108.16 2oq3 s GLY 78 Ca 0.25 -0.22 -0.04 0.00 0.00 0.00 0.00 44.72 44.72 2oq3 s GLY 78 CO 0.10 4.05 0.19 1.06 0.00 0.00 0.00 173.10 178.51 2oq3 s MET 79 N -2.05 1.18 0.20 2.90 -1.94 0.63 -0.82 119.30 119.40 2oq3 s MET 79 Ca 0.26 -1.44 -0.10 0.00 -1.71 0.00 0.00 55.69 52.70 2oq3 s MET 79 Cb -0.02 0.31 -0.01 0.00 2.01 0.00 0.00 34.83 37.13 2oq3 s MET 79 CO 0.03 -0.40 0.35 -1.54 -0.01 0.00 0.00 175.02 173.44 2oq3 s SER 80 N -3.07 -0.01 -0.07 3.03 1.04 -0.58 -4.07 113.70 109.97 2oq3 s SER 80 Ca 0.29 -0.94 -0.03 0.00 0.48 0.00 0.00 55.95 55.75 2oq3 s SER 80 Cb 0.05 0.49 0.04 0.00 0.10 0.00 0.00 66.02 66.70 2oq3 s SER 80 CO 0.07 -0.98 0.13 -0.22 0.98 0.00 0.00 173.24 173.21 2oq3 s LEU 81 N -3.01 0.35 -0.04 2.42 2.96 -0.43 -0.44 118.68 120.50 2oq3 s LEU 81 Ca 0.21 0.27 0.02 0.00 -0.22 0.00 0.00 54.13 54.41 2oq3 s LEU 81 Cb 0.02 0.23 0.01 0.00 0.50 0.00 0.00 46.19 46.95 2oq3 s LEU 81 CO 0.05 -0.20 -0.09 -0.89 -1.32 0.00 0.00 176.35 173.90 2oq3 s THR 82 N 1.75 0.82 -0.02 3.68 2.01 -0.39 -0.65 115.64 122.84 2oq3 s THR 82 Ca -0.02 -0.35 0.05 0.00 0.31 0.00 0.00 61.69 61.68 2oq3 s THR 82 Cb -0.12 -0.75 -0.01 0.00 0.01 0.00 0.00 72.50 71.63 2oq3 s THR 82 CO -0.05 0.27 -0.17 -0.22 -0.69 0.00 0.00 174.62 173.75 2oq3 s LEU 83 N 0.42 2.01 -0.16 4.42 2.96 -0.99 -0.97 118.68 126.37 2oq3 s LEU 83 Ca -0.07 -0.32 0.02 0.00 -0.22 0.00 0.00 54.13 53.53 2oq3 s LEU 83 Cb -0.11 -0.91 0.01 0.00 0.50 0.00 0.00 46.19 45.67 2oq3 s LEU 83 CO 0.01 0.20 -0.20 -0.76 -1.32 0.00 0.00 176.35 174.28 2oq3 s LEU 84 N -0.33 2.18 0.23 -0.68 1.02 0.58 -0.81 118.68 120.88 2oq3 s LEU 84 Ca 0.05 -0.60 -0.08 0.00 0.02 0.00 0.00 54.13 53.52 2oq3 s LEU 84 Cb -0.08 -1.48 0.21 0.00 0.02 0.00 0.00 46.19 44.86 2oq3 s LEU 84 CO -0.00 0.05 1.90 -0.33 0.02 0.00 0.00 176.35 177.99 2oq3 h GLU 85 N 7.55 1.16 0.00 1.70 5.08 -0.50 -2.67 114.58 126.89 2oq3 h GLU 85 Ca -0.37 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 57.91 2oq3 h GLU 85 Cb 1.17 -0.26 0.00 0.00 0.50 0.00 0.00 28.75 30.16 2oq3 h GLU 85 CO 0.59 0.77 -0.89 1.04 -1.00 0.00 0.00 179.01 179.51 2oq3 n GLN 86 N -4.47 0.41 -1.01 2.33 1.13 -0.01 -5.04 117.38 110.72 2oq3 n GLN 86 Ca 0.09 0.07 0.14 0.00 -1.94 0.00 0.00 57.00 55.36 2oq3 n GLN 86 Cb 0.02 -1.71 -0.04 0.00 0.11 0.00 0.00 30.24 28.63 2oq3 n GLN 86 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2oq3 n GLY 87 N 1.29 -1.79 3.14 1.08 0.00 -1.01 -4.90 105.19 102.99 2oq3 n GLY 87 Ca 0.02 -1.26 -0.09 0.00 0.00 0.00 0.00 46.02 44.68 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 -1.97 0.15 -0.53 1.61 0.11 -0.83 -4.57 120.40 114.36 2oq3 s VAL 88 Ca 0.00 -1.22 -0.13 0.00 -2.93 0.00 0.00 61.98 57.70 2oq3 s VAL 88 Cb 0.00 -1.10 0.13 0.00 -1.53 0.00 0.00 36.38 33.88 2oq3 s VAL 88 CO 0.00 -0.67 0.45 -0.47 -3.33 0.00 0.00 175.10 171.08 2oq3 s TYR 89 N -3.11 3.35 0.38 1.54 5.04 -1.26 -0.23 117.35 123.06 2oq3 s TYR 89 Ca -0.01 -1.58 -0.27 0.00 -2.44 0.00 0.00 57.07 52.78 2oq3 s TYR 89 Cb 0.02 -3.68 -0.09 0.00 0.35 0.00 0.00 41.96 38.56 2oq3 s TYR 89 CO -0.07 -1.01 1.27 -0.06 -1.34 0.00 0.00 175.55 174.34 2oq3 s PHE 90 N 1.40 2.95 -1.14 4.97 0.40 -1.26 -4.70 117.98 120.60 2oq3 s PHE 90 Ca 0.05 1.45 -0.17 0.00 -0.60 0.00 0.00 56.93 57.67 2oq3 s PHE 90 Cb -0.27 -3.60 -0.06 0.00 0.51 0.00 0.00 43.02 39.60 2oq3 s PHE 90 CO 0.01 -1.82 2.13 -0.35 0.70 0.00 0.00 175.22 175.89 2oq3 n PRO 91 N 0.31 2.27 0.00 0.24 -0.04 -1.26 -3.37 135.00 133.15 2oq3 n PRO 91 Ca 0.03 -2.20 0.00 0.00 -0.04 0.00 0.00 63.50 61.29 2oq3 n PRO 91 Cb 0.44 -3.06 0.00 0.00 -0.04 0.00 0.00 33.50 30.83 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 4.24 0.00 3.69 0.55 0.00 -1.26 -4.22 105.19 108.19 2oq3 n GLY 92 Ca 0.52 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.25 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 2.69 0.29 1.61 3.84 -1.22 -4.96 114.94 117.20 2oq3 s ASN 93 Ca 0.00 1.16 0.06 0.00 0.21 0.00 0.00 52.86 54.30 2oq3 s ASN 93 Cb 0.00 -1.82 0.45 0.00 -0.55 0.00 0.00 41.25 39.33 2oq3 s ASN 93 CO 0.00 -3.09 1.69 -0.78 -2.79 0.00 0.00 177.10 172.13 2oq3 h ASP 94 N -1.86 0.25 -5.28 -4.21 3.58 -1.94 -3.48 116.42 103.48 2oq3 h ASP 94 Ca -0.54 -0.11 -0.08 0.00 0.42 0.00 0.00 57.03 56.72 2oq3 h ASP 94 Cb 1.33 -0.07 -0.11 0.00 1.72 0.00 0.00 39.33 42.21 2oq3 h ASP 94 CO 0.58 0.65 -0.21 -1.83 -2.88 0.00 0.00 179.24 175.55 2oq3 s GLU 95 N -4.12 1.42 0.14 0.28 -1.05 -1.26 -5.04 118.70 109.07 2oq3 s GLU 95 Ca -0.04 -1.25 -0.35 0.00 -0.15 0.00 0.00 54.97 53.18 2oq3 s GLU 95 Cb 0.13 0.43 -0.15 0.00 -0.44 0.00 0.00 34.13 34.10 2oq3 s GLU 95 CO 0.77 -0.57 1.40 -2.30 0.95 0.00 0.00 175.26 175.51 2oq3 n PRO 96 N -0.33 1.57 -2.08 -4.83 -0.02 -1.26 -4.24 135.00 123.80 2oq3 n PRO 96 Ca -0.03 0.56 -0.43 0.00 -2.02 0.00 0.00 63.50 61.59 2oq3 n PRO 96 Cb 0.63 -2.23 -0.03 0.00 -0.02 0.00 0.00 33.50 31.85 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 0.45 3.60 0.05 4.25 -1.09 0.68 -4.31 121.20 124.83 2oq3 s ILE 97 Ca 0.79 0.63 0.09 0.00 -2.23 0.00 0.00 60.65 59.93 2oq3 s ILE 97 Cb -0.82 -3.74 -0.19 0.00 -1.58 0.00 0.00 42.46 36.13 2oq3 s ILE 97 CO 0.45 -0.43 1.12 0.11 -1.23 0.00 0.00 174.94 174.96 2oq3 h LYS 98 N 11.91 0.00 -4.78 2.79 1.57 -1.34 -2.21 116.57 124.51 2oq3 h LYS 98 Ca -0.33 0.00 -0.40 0.00 -1.87 0.00 0.00 60.65 58.05 2oq3 h LYS 98 Cb 1.15 0.00 -0.29 0.00 0.08 0.00 0.00 32.23 33.18 2oq3 h LYS 98 CO 1.03 0.81 -0.78 -1.17 -0.57 0.00 0.00 179.45 178.77 2oq3 s LEU 99 N -6.50 2.01 -0.27 2.94 2.96 -0.92 -0.31 118.68 118.60 2oq3 s LEU 99 Ca -0.00 -0.17 -0.02 0.00 -0.22 0.00 0.00 54.13 53.71 2oq3 s LEU 99 Cb 0.09 -0.49 0.09 0.00 0.50 0.00 0.00 46.19 46.38 2oq3 s LEU 99 CO 0.82 0.12 0.08 -0.76 -1.32 0.00 0.00 176.35 175.29 2oq3 s LEU 100 N -0.22 1.52 -0.28 -0.68 1.02 -0.14 -1.10 118.68 118.79 2oq3 s LEU 100 Ca 0.04 -1.30 -0.26 0.00 0.02 0.00 0.00 54.13 52.63 2oq3 s LEU 100 Cb -0.04 -0.66 0.01 0.00 0.02 0.00 0.00 46.19 45.52 2oq3 s LEU 100 CO -0.00 -0.39 0.92 -0.63 0.02 0.00 0.00 176.35 176.28 2oq3 s ILE 101 N 1.80 4.70 0.36 -0.59 -1.09 -0.86 -1.26 121.20 124.27 2oq3 s ILE 101 Ca 0.06 1.58 -0.16 0.00 -2.23 0.00 0.00 60.65 59.90 2oq3 s ILE 101 Cb -0.17 -4.25 -0.09 0.00 -1.58 0.00 0.00 42.46 36.37 2oq3 s ILE 101 CO -0.22 -0.26 0.80 -0.83 -1.23 0.00 0.00 174.94 173.19 2oq3 s GLY 102 N 1.49 2.28 -0.03 6.18 0.00 0.41 -2.40 107.32 115.27 2oq3 s GLY 102 Ca 0.39 0.09 -0.04 0.00 0.00 0.00 0.00 44.72 45.16 2oq3 s GLY 102 CO 0.11 0.31 0.10 -2.27 0.00 0.00 0.00 173.10 171.35 2oq3 s LEU 103 N -3.19 1.66 -0.02 0.66 0.20 -0.74 -1.53 118.68 115.73 2oq3 s LEU 103 Ca 0.56 0.06 -0.04 0.00 0.69 0.00 0.00 54.13 55.40 2oq3 s LEU 103 Cb -0.10 0.39 0.00 0.00 -0.43 0.00 0.00 46.19 46.05 2oq3 s LEU 103 CO 0.19 -0.12 0.09 -0.44 -0.29 0.00 0.00 176.35 175.78 2oq3 s SER 104 N -0.37 -0.03 -0.05 3.68 0.01 0.00 -4.19 113.70 112.76 2oq3 s SER 104 Ca -0.04 0.02 -0.04 0.00 1.31 0.00 0.00 55.95 57.19 2oq3 s SER 104 Cb -0.03 0.19 0.01 0.00 0.21 0.00 0.00 66.02 66.41 2oq3 s SER 104 CO 0.00 -0.14 0.13 0.00 0.41 0.00 0.00 173.24 173.63 2oq3 s ALA 105 N -0.47 -0.30 -0.23 1.44 0.00 -1.25 -0.70 121.76 120.25 2oq3 s ALA 105 Ca -0.05 0.38 0.18 0.00 0.00 0.00 0.00 51.96 52.47 2oq3 s ALA 105 Cb -0.03 -0.23 0.22 0.00 0.00 0.00 0.00 23.12 23.08 2oq3 s ALA 105 CO 0.00 -0.07 1.53 0.00 0.00 0.00 0.00 175.76 177.22 2oq3 h ALA 106 N 6.07 0.80 -2.54 0.00 0.00 -1.87 -3.38 119.26 118.35 2oq3 h ALA 106 Ca -0.27 -0.29 -0.11 0.00 0.00 0.00 0.00 54.91 54.25 2oq3 h ALA 106 Cb 1.20 -0.05 -0.16 0.00 0.00 0.00 0.00 17.79 18.77 2oq3 h ALA 106 CO 0.43 0.39 -0.44 0.34 0.00 0.00 0.00 179.25 179.97 2oq3 s ASP 107 N -6.35 0.13 0.39 0.00 2.15 -1.26 -4.93 116.67 106.80 2oq3 s ASP 107 Ca 0.05 -0.54 0.06 0.00 0.43 0.00 0.00 52.55 52.55 2oq3 s ASP 107 Cb 0.07 0.28 0.80 0.00 -0.30 0.00 0.00 42.92 43.77 2oq3 s ASP 107 CO 0.71 -0.59 2.04 0.00 -0.17 0.00 0.00 175.17 177.16 2oq3 h ALA 108 N 3.29 1.67 -0.00 3.66 0.00 -1.99 0.32 119.26 126.22 2oq3 h ALA 108 Ca -0.33 -0.03 -0.19 0.00 0.00 0.00 0.00 54.91 54.36 2oq3 h ALA 108 Cb 1.19 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 2oq3 h ALA 108 CO 0.52 0.29 -0.85 0.22 0.00 0.00 0.00 179.25 179.44 2oq3 h ASP 109 N 0.64 0.22 -0.69 0.00 3.58 -1.99 -0.87 116.42 117.31 2oq3 h ASP 109 Ca 0.18 -0.17 -0.02 0.00 0.42 0.00 0.00 57.03 57.44 2oq3 h ASP 109 Cb -0.04 -0.07 -0.03 0.00 1.72 0.00 0.00 39.33 40.91 2oq3 h ASP 109 CO -0.04 0.96 0.34 0.28 -2.88 0.00 0.00 179.24 177.90 2oq3 h SER 110 N 0.10 0.90 -0.19 2.28 0.02 -1.79 -0.79 113.55 114.08 2oq3 h SER 110 Ca -0.04 -0.13 0.02 0.00 -0.84 0.00 0.00 61.79 60.81 2oq3 h SER 110 Cb 1.46 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 63.75 2oq3 h SER 110 CO 0.13 0.78 0.04 -0.74 -1.14 0.00 0.00 176.83 175.89 2oq3 h HIS 111 N 0.96 0.06 0.20 3.45 -0.00 -0.74 -1.07 115.15 118.02 2oq3 h HIS 111 Ca 0.24 0.01 0.01 0.00 -0.00 0.00 0.00 60.37 60.63 2oq3 h HIS 111 Cb 0.11 -0.00 -0.03 0.00 -0.00 0.00 0.00 27.41 27.50 2oq3 h HIS 111 CO 0.00 0.02 -0.27 0.82 -0.00 0.00 0.00 177.93 178.51 2oq3 h ILE 112 N 0.11 0.42 -0.84 6.26 1.08 -0.83 0.10 117.51 123.81 2oq3 h ILE 112 Ca 0.08 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.56 2oq3 h ILE 112 Cb 0.08 0.42 -0.04 0.00 -3.07 0.00 0.00 36.82 34.21 2oq3 h ILE 112 CO -0.11 0.00 0.54 1.23 -0.69 0.00 0.00 178.15 179.12 2oq3 h GLY 113 N -0.53 1.20 0.59 5.37 0.00 -1.00 -0.55 103.07 108.15 2oq3 h GLY 113 Ca 0.01 -0.46 -0.01 0.00 0.00 0.00 0.00 47.33 46.87 2oq3 h GLY 113 CO -0.10 0.45 -0.01 0.00 0.00 0.00 0.00 176.54 176.88 2oq3 h ALA 114 N 1.45 0.03 -0.76 3.60 0.00 -0.91 -2.56 119.26 120.11 2oq3 h ALA 114 Ca 0.31 -0.23 0.08 0.00 0.00 0.00 0.00 54.91 55.06 2oq3 h ALA 114 Cb -0.11 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 17.61 2oq3 h ALA 114 CO -0.06 -0.23 0.43 0.82 0.00 0.00 0.00 179.25 180.21 2oq3 h ILE 115 N -0.37 0.94 0.00 0.00 1.08 -0.49 -0.51 117.51 118.16 2oq3 h ILE 115 Ca 0.00 -0.26 0.00 0.00 -0.39 0.00 0.00 64.86 64.21 2oq3 h ILE 115 Cb 0.46 0.12 0.00 0.00 -3.07 0.00 0.00 36.82 34.33 2oq3 h ILE 115 CO 0.00 0.14 0.00 0.00 -0.69 0.00 0.00 178.15 177.60 2oq3 n GLN 116 N -4.75 0.12 0.03 2.37 1.13 -0.24 -0.39 117.38 115.64 2oq3 n GLN 116 Ca 0.11 0.35 -0.21 0.00 -1.94 0.00 0.00 57.00 55.31 2oq3 n GLN 116 Cb 0.23 -1.73 -0.14 0.00 0.11 0.00 0.00 30.24 28.71 2oq3 n GLN 116 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2oq3 h ALA 117 N 2.37 0.09 0.00 -1.58 0.00 -0.71 -3.37 119.26 116.07 2oq3 h ALA 117 Ca 0.00 -0.98 -0.08 0.00 0.00 0.00 0.00 54.91 53.85 2oq3 h ALA 117 Cb 0.34 0.37 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 2oq3 h ALA 117 CO 0.00 0.71 -0.39 -0.07 0.00 0.00 0.00 179.25 179.51 2oq3 h LEU 118 N -0.29 0.00 -2.53 0.00 3.38 -0.43 -1.18 115.31 114.26 2oq3 h LEU 118 Ca -0.26 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.72 2oq3 h LEU 118 Cb 1.76 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.51 2oq3 h LEU 118 CO 0.09 0.39 0.13 0.28 0.09 0.00 0.00 178.44 179.42 2oq3 h SER 119 N 0.00 0.00 1.31 -0.43 0.02 -0.88 0.97 113.55 114.53 2oq3 h SER 119 Ca -0.00 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.91 2oq3 h SER 119 Cb 0.80 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.34 2oq3 h SER 119 CO 0.05 0.00 -0.18 -0.33 -1.14 0.00 0.00 176.83 175.23 2oq3 h GLU 120 N 0.00 0.00 0.00 3.45 4.39 -1.39 -3.21 114.58 117.82 2oq3 h GLU 120 Ca 0.02 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.72 2oq3 h GLU 120 Cb 0.27 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.92 2oq3 h GLU 120 CO -0.00 0.18 -0.70 1.28 -1.16 0.00 0.00 179.01 178.61 2oq3 n LEU 121 N -3.23 1.45 0.10 1.33 4.77 0.11 -4.47 117.00 117.05 2oq3 n LEU 121 Ca 0.01 0.24 0.09 0.00 -0.03 0.00 0.00 56.01 56.33 2oq3 n LEU 121 Cb 0.49 -0.64 0.42 0.00 -2.33 0.00 0.00 43.42 41.35 2oq3 n LEU 121 CO 0.34 -0.36 0.77 0.18 -1.33 0.00 0.00 177.39 176.99 2oq3 n LEU 122 N -3.95 0.43 -0.77 2.23 7.99 0.10 -2.00 117.00 121.03 2oq3 n LEU 122 Ca -0.10 0.64 0.03 0.00 -0.01 0.00 0.00 56.01 56.57 2oq3 n LEU 122 Cb 0.36 -0.63 0.21 0.00 -0.11 0.00 0.00 43.42 43.25 2oq3 n LEU 122 CO 0.15 -0.62 0.46 0.00 -1.51 0.00 0.00 177.39 175.87 2oq3 s GLU 124 N -3.24 0.89 0.41 0.00 0.41 -0.85 -4.98 118.70 111.34 2oq3 s GLU 124 Ca 0.40 -0.69 0.12 0.00 -0.41 0.00 0.00 54.97 54.40 2oq3 s GLU 124 Cb 0.38 -2.20 0.96 0.00 -1.78 0.00 0.00 34.13 31.49 2oq3 s GLU 124 CO -0.05 -0.70 1.95 0.93 -0.49 0.00 0.00 175.26 176.90 2oq3 h GLU 125 N 8.15 0.49 -0.46 1.61 5.08 -1.91 0.33 114.58 127.86 2oq3 h GLU 125 Ca -0.16 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.16 2oq3 h GLU 125 Cb 1.09 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 30.21 2oq3 h GLU 125 CO 0.38 0.32 0.25 0.93 -1.00 0.00 0.00 179.01 179.89 2oq3 h GLU 126 N 0.50 0.65 -0.21 2.33 5.08 -1.95 -2.27 114.58 118.71 2oq3 h GLU 126 Ca 0.32 -0.08 -0.10 0.00 -1.00 0.00 0.00 59.36 58.50 2oq3 h GLU 126 Cb 0.57 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.69 2oq3 h GLU 126 CO -0.10 0.52 -0.27 0.82 -1.00 0.00 0.00 179.01 178.99 2oq3 h ILE 127 N 0.61 1.33 -0.73 3.13 5.03 -1.43 -3.11 117.51 122.34 2oq3 h ILE 127 Ca 0.16 -1.46 0.15 0.00 -0.12 0.00 0.00 64.86 63.59 2oq3 h ILE 127 Cb 0.07 1.78 -0.10 0.00 -3.03 0.00 0.00 36.82 35.54 2oq3 h ILE 127 CO -0.02 0.45 0.23 -0.07 -0.68 0.00 0.00 178.15 178.05 2oq3 h LEU 128 N 0.23 0.13 -0.65 1.44 4.07 -0.75 -0.40 115.31 119.38 2oq3 h LEU 128 Ca 0.03 0.13 -0.13 0.00 0.08 0.00 0.00 57.88 57.98 2oq3 h LEU 128 Cb 0.83 0.14 -0.01 0.00 1.08 0.00 0.00 40.66 42.71 2oq3 h LEU 128 CO 0.06 0.03 -0.32 -0.33 -1.08 0.00 0.00 178.44 176.80 2oq3 h GLU 129 N 0.34 0.70 -0.68 1.13 5.08 -1.45 0.17 114.58 119.88 2oq3 h GLU 129 Ca 0.40 -0.32 -0.07 0.00 -1.00 0.00 0.00 59.36 58.37 2oq3 h GLU 129 Cb 0.65 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.86 2oq3 h GLU 129 CO -0.45 0.93 0.16 1.96 -1.00 0.00 0.00 179.01 180.60 2oq3 h GLN 130 N 0.59 1.09 0.19 2.33 4.20 -1.08 -2.00 115.11 120.43 2oq3 h GLN 130 Ca 0.07 -0.27 -0.01 0.00 0.06 0.00 0.00 58.65 58.50 2oq3 h GLN 130 Cb 0.84 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 28.48 2oq3 h GLN 130 CO 0.07 0.98 -0.09 -0.07 -0.67 0.00 0.00 178.83 179.05 2oq3 h LEU 131 N 1.02 -0.21 -0.51 1.46 3.38 -0.91 -2.41 115.31 117.12 2oq3 h LEU 131 Ca 0.21 -0.29 0.00 0.00 0.09 0.00 0.00 57.88 57.89 2oq3 h LEU 131 Cb 0.38 0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.19 2oq3 h LEU 131 CO 0.00 0.23 0.00 0.18 0.09 0.00 0.00 178.44 178.94 2oq3 n LEU 132 N -5.01 0.22 0.00 1.67 4.77 0.58 -1.41 117.00 117.82 2oq3 n LEU 132 Ca -0.09 0.60 0.00 0.00 -0.03 0.00 0.00 56.01 56.49 2oq3 n LEU 132 Cb 0.25 -0.62 0.00 0.00 -2.33 0.00 0.00 43.42 40.73 2oq3 n LEU 132 CO 0.30 -0.63 0.37 0.35 -1.33 0.00 0.00 177.39 176.45 2oq3 n THR 133 N -1.79 0.53 -1.66 -5.08 -2.24 -0.76 -5.05 114.28 98.23 2oq3 n THR 133 Ca -0.00 -0.72 -0.43 0.00 -2.27 0.00 0.00 64.05 60.64 2oq3 n THR 133 Cb 0.04 0.77 -0.03 0.00 -2.10 0.00 0.00 70.33 69.01 2oq3 n THR 133 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2oq3 n ALA 134 N -0.26 1.56 0.50 6.98 0.00 -0.50 -4.89 120.51 123.89 2oq3 n ALA 134 Ca 0.00 0.20 0.13 0.00 0.00 0.00 0.00 53.44 53.76 2oq3 n ALA 134 Cb 0.17 -2.69 0.42 0.00 0.00 0.00 0.00 19.45 17.36 2oq3 n ALA 134 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 2oq3 h SER 135 N 10.73 0.00 -5.12 0.00 0.02 -1.90 -3.47 113.55 113.80 2oq3 h SER 135 Ca -0.49 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 60.41 2oq3 h SER 135 Cb 1.24 0.00 -0.11 0.00 0.14 0.00 0.00 62.40 63.67 2oq3 h SER 135 CO 0.94 0.00 -0.07 -0.94 -1.14 0.00 0.00 176.83 175.62 2oq3 s SER 136 N -4.70 -0.19 0.37 3.07 1.04 -1.26 -5.01 113.70 107.02 2oq3 s SER 136 Ca 0.08 -0.51 0.05 0.00 0.48 0.00 0.00 55.95 56.04 2oq3 s SER 136 Cb 0.10 0.52 0.72 0.00 0.10 0.00 0.00 66.02 67.46 2oq3 s SER 136 CO 0.54 -0.96 2.00 -0.33 0.98 0.00 0.00 173.24 175.47 2oq3 h GLU 137 N 2.32 0.74 -0.32 4.02 3.07 -1.91 -1.76 114.58 120.74 2oq3 h GLU 137 Ca -0.31 -0.04 0.01 0.00 -0.50 0.00 0.00 59.36 58.52 2oq3 h GLU 137 Cb 1.25 -0.17 -0.02 0.00 -0.84 0.00 0.00 28.75 28.97 2oq3 h GLU 137 CO 0.42 0.49 0.19 0.87 -1.40 0.00 0.00 179.01 179.58 2oq3 h LYS 138 N 0.77 0.37 -0.27 2.33 1.57 -1.95 0.31 116.57 119.69 2oq3 h LYS 138 Ca 0.25 -0.02 -0.07 0.00 -1.87 0.00 0.00 60.65 58.93 2oq3 h LYS 138 Cb 0.04 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.25 2oq3 h LYS 138 CO -0.07 0.25 -0.13 0.37 -0.57 0.00 0.00 179.45 179.30 2oq3 h GLN 139 N 0.38 0.46 -0.22 3.15 4.15 -1.82 0.83 115.11 122.05 2oq3 h GLN 139 Ca 0.13 -0.13 -0.04 0.00 0.77 0.00 0.00 58.65 59.38 2oq3 h GLN 139 Cb 0.00 -0.05 -0.01 0.00 0.21 0.00 0.00 27.48 27.64 2oq3 h GLN 139 CO -0.06 0.59 -0.01 -0.07 -1.93 0.00 0.00 178.83 177.36 2oq3 h LEU 140 N 0.43 0.39 -1.52 -2.39 3.38 -0.89 -3.05 115.31 111.66 2oq3 h LEU 140 Ca 0.08 -0.32 -0.03 0.00 0.09 0.00 0.00 57.88 57.70 2oq3 h LEU 140 Cb 0.49 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 2oq3 h LEU 140 CO 0.03 0.61 -0.06 0.00 0.09 0.00 0.00 178.44 179.11 2oq3 h ALA 141 N 0.79 1.61 -0.71 1.53 0.00 -0.58 -2.26 119.26 119.64 2oq3 h ALA 141 Ca 0.06 -0.15 0.04 0.00 0.00 0.00 0.00 54.91 54.86 2oq3 h ALA 141 Cb 0.41 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.08 2oq3 h ALA 141 CO 0.01 0.29 0.47 0.22 0.00 0.00 0.00 179.25 180.24 2oq3 h ASP 142 N 0.23 0.72 0.04 0.00 3.58 -0.73 -1.76 116.42 118.49 2oq3 h ASP 142 Ca 0.05 -0.01 -0.17 0.00 0.42 0.00 0.00 57.03 57.33 2oq3 h ASP 142 Cb 0.26 -0.16 -0.00 0.00 1.72 0.00 0.00 39.33 41.14 2oq3 h ASP 142 CO 0.01 0.49 -0.59 0.40 -2.88 0.00 0.00 179.24 176.66 2oq3 h ILE 143 N 0.83 1.33 -0.19 2.25 2.04 -1.37 -2.07 117.51 120.32 2oq3 h ILE 143 Ca 0.29 -1.86 0.05 0.00 1.00 0.00 0.00 64.86 64.34 2oq3 h ILE 143 Cb 0.10 1.83 -0.06 0.00 -0.74 0.00 0.00 36.82 37.95 2oq3 h ILE 143 CO -0.08 0.58 -0.20 0.40 0.00 0.00 0.00 178.15 178.85 2oq3 h ILE 144 N 0.42 0.48 0.00 -0.67 1.08 -1.15 -1.70 117.51 115.97 2oq3 h ILE 144 Ca -0.00 0.00 -0.09 0.00 -0.39 0.00 0.00 64.86 64.38 2oq3 h ILE 144 Cb 1.15 0.48 -0.01 0.00 -3.07 0.00 0.00 36.82 35.37 2oq3 h ILE 144 CO 0.11 0.00 -0.42 0.28 -0.69 0.00 0.00 178.15 177.43 2oq3 h SER 145 N -0.22 0.00 -0.12 1.72 0.02 -1.13 -2.36 113.55 111.46 2oq3 h SER 145 Ca 0.12 0.00 -0.15 0.00 -0.84 0.00 0.00 61.79 60.92 2oq3 h SER 145 Cb 0.40 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.93 2oq3 h SER 145 CO -0.32 0.42 -0.44 -0.09 -1.14 0.00 0.00 176.83 175.26 2oq3 h ARG 146 N 0.00 0.67 0.00 3.45 2.43 -1.04 -3.48 114.38 116.41 2oq3 h ARG 146 Ca -0.00 -0.36 0.00 0.00 -0.81 0.00 0.00 59.98 58.80 2oq3 h ARG 146 Cb 0.79 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.36 2oq3 h ARG 146 CO 0.05 0.98 0.00 0.41 -1.51 0.00 0.00 179.97 179.90