#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 3.28 0.48 3.17 3.00 -1.26 -4.69 118.95 122.93 2oq3 s ARG 2 Ca 0.00 1.36 0.15 0.00 0.00 0.00 0.00 55.73 57.24 2oq3 s ARG 2 Cb 0.00 -4.21 1.15 0.00 0.00 0.00 0.00 34.95 31.89 2oq3 s ARG 2 CO 0.00 -1.92 2.07 -0.07 0.00 0.00 0.00 175.30 175.37 2oq3 h LEU 3 N 13.89 0.18 -1.77 2.53 -0.00 -1.84 -2.10 115.31 126.21 2oq3 h LEU 3 Ca -0.33 -0.00 0.03 0.00 -0.00 0.00 0.00 57.88 57.58 2oq3 h LEU 3 Cb 1.17 -0.04 -0.00 0.00 -0.00 0.00 0.00 40.66 41.78 2oq3 h LEU 3 CO 1.05 0.12 0.44 0.28 -0.00 0.00 0.00 178.44 180.33 2oq3 h SER 4 N 0.21 0.00 0.30 -0.43 0.02 -1.88 -0.49 113.55 111.27 2oq3 h SER 4 Ca 0.13 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.06 2oq3 h SER 4 Cb 0.27 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.80 2oq3 h SER 4 CO -0.02 0.00 -0.10 -0.78 -1.14 0.00 0.00 176.83 174.78 2oq3 h ASP 5 N 0.00 0.00 0.00 3.07 3.58 -1.77 -3.29 116.42 118.01 2oq3 h ASP 5 Ca 0.04 0.00 -0.06 0.00 0.42 0.00 0.00 57.03 57.44 2oq3 h ASP 5 Cb 0.92 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.96 2oq3 h ASP 5 CO -0.00 0.10 -2.00 -1.22 -2.88 0.00 0.00 179.24 173.24 2oq3 n TYR 6 N -3.72 0.00 -3.50 0.28 4.01 -0.19 -4.87 117.16 109.17 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 0.21 -0.55 -0.09 0.00 -0.31 0.00 0.00 39.34 38.61 2oq3 n TYR 6 CO 0.00 0.00 0.00 -0.06 -0.46 0.00 0.00 176.86 176.34 2oq3 s PHE 7 N -3.27 3.31 0.01 -0.72 0.40 -1.24 -0.33 117.98 116.14 2oq3 s PHE 7 Ca -0.08 -1.35 -0.07 0.00 -0.60 0.00 0.00 56.93 54.82 2oq3 s PHE 7 Cb 0.12 -3.16 -0.04 0.00 0.51 0.00 0.00 43.02 40.45 2oq3 s PHE 7 CO 0.84 -0.86 1.11 -1.00 0.70 0.00 0.00 175.22 176.01 2oq3 h PRO 8 N 8.57 -0.25 0.00 0.24 0.13 -1.87 -3.48 132.00 135.34 2oq3 h PRO 8 Ca -0.25 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.90 2oq3 h PRO 8 Cb 1.09 0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.28 2oq3 h PRO 8 CO 0.83 -0.17 0.00 -1.91 -0.23 0.00 0.00 178.00 176.53 2oq3 n GLU 9 N -2.75 0.00 0.00 0.86 4.07 -1.26 -4.92 120.64 116.64 2oq3 n GLU 9 Ca -0.03 0.00 0.04 0.00 -0.06 0.00 0.00 57.16 57.11 2oq3 n GLU 9 Cb 0.10 0.00 0.23 0.00 -0.06 0.00 0.00 31.44 31.72 2oq3 n GLU 9 CO 0.00 0.00 0.00 0.43 -0.06 0.00 0.00 177.13 177.50 2oq3 n SER 10 N -1.66 0.00 0.16 4.31 7.64 -1.26 -3.95 113.62 118.86 2oq3 n SER 10 Ca 0.00 -0.47 0.12 0.00 1.01 0.00 0.00 58.87 59.54 2oq3 n SER 10 Cb 0.00 0.00 0.56 0.00 -1.01 0.00 0.00 64.21 63.76 2oq3 n SER 10 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 2oq3 h SER 11 N 0.00 0.00 -4.11 6.43 4.64 -1.87 -3.43 113.55 115.21 2oq3 h SER 11 Ca 0.00 0.00 -0.69 0.00 -0.47 0.00 0.00 61.79 60.63 2oq3 h SER 11 Cb 0.00 0.00 -0.28 0.00 -0.31 0.00 0.00 62.40 61.81 2oq3 h SER 11 CO 0.00 0.00 -0.84 -0.63 -0.87 0.00 0.00 176.83 174.49 2oq3 s ILE 12 N -3.44 2.43 -0.23 0.95 1.09 -1.25 -0.30 121.20 120.44 2oq3 s ILE 12 Ca 0.02 -0.95 -0.21 0.00 -1.10 0.00 0.00 60.65 58.41 2oq3 s ILE 12 Cb 0.08 -1.91 0.06 0.00 -1.06 0.00 0.00 42.46 39.64 2oq3 s ILE 12 CO 0.35 0.57 0.61 -0.44 -0.10 0.00 0.00 174.94 175.93 2oq3 s SER 13 N -0.38 -0.64 -0.12 3.58 0.01 -0.59 -4.97 113.70 110.59 2oq3 s SER 13 Ca 0.03 1.23 -0.04 0.00 1.31 0.00 0.00 55.95 58.48 2oq3 s SER 13 Cb -0.12 1.25 -0.04 0.00 0.21 0.00 0.00 66.02 67.32 2oq3 s SER 13 CO 0.02 -0.21 0.04 -0.69 0.41 0.00 0.00 173.24 172.80 2oq3 s VAL 14 N 0.34 4.62 0.03 3.43 1.01 -1.26 -1.72 120.40 126.85 2oq3 s VAL 14 Ca -0.00 -0.12 0.01 0.00 0.00 0.00 0.00 61.98 61.87 2oq3 s VAL 14 Cb -0.04 -3.00 -0.02 0.00 0.00 0.00 0.00 36.38 33.32 2oq3 s VAL 14 CO 0.01 0.57 -0.05 -0.63 0.00 0.00 0.00 175.10 174.99 2oq3 s ILE 15 N -0.55 0.34 0.09 2.22 1.01 -0.12 -4.96 121.20 119.22 2oq3 s ILE 15 Ca 0.10 -0.90 -0.18 0.00 0.00 0.00 0.00 60.65 59.67 2oq3 s ILE 15 Cb -0.12 -0.43 -0.08 0.00 0.01 0.00 0.00 42.46 41.85 2oq3 s ILE 15 CO 0.02 -0.37 1.53 0.45 0.00 0.00 0.00 174.94 176.57 2oq3 h HIS 16 N 4.74 0.50 -1.75 3.97 3.86 -1.94 -0.53 115.15 123.99 2oq3 h HIS 16 Ca -0.33 -0.08 0.02 0.00 -1.16 0.00 0.00 60.37 58.81 2oq3 h HIS 16 Cb 1.20 -0.13 -0.23 0.00 1.06 0.00 0.00 27.41 29.32 2oq3 h HIS 16 CO 0.62 0.61 0.35 -1.54 0.86 0.00 0.00 177.93 178.84 2oq3 s SER 17 N -5.95 -0.54 0.57 2.45 1.04 -1.26 -0.77 113.70 109.24 2oq3 s SER 17 Ca -0.14 0.85 -0.14 0.00 0.48 0.00 0.00 55.95 57.00 2oq3 s SER 17 Cb 0.08 0.80 -0.06 0.00 0.10 0.00 0.00 66.02 66.94 2oq3 s SER 17 CO 0.75 -0.31 1.01 0.00 0.98 0.00 0.00 173.24 175.67 2oq3 s ALA 18 N -0.34 3.03 0.23 5.32 0.00 -1.26 -4.97 121.76 123.77 2oq3 s ALA 18 Ca -0.01 0.10 -0.08 0.00 0.00 0.00 0.00 51.96 51.97 2oq3 s ALA 18 Cb -0.03 -3.12 0.22 0.00 0.00 0.00 0.00 23.12 20.19 2oq3 s ALA 18 CO 0.00 -0.50 1.91 -0.22 0.00 0.00 0.00 175.76 176.95 2oq3 h LYS 19 N 0.35 1.21 0.00 0.00 3.64 -1.98 -3.47 116.57 116.31 2oq3 h LYS 19 Ca -0.46 -0.07 0.10 0.00 -1.27 0.00 0.00 60.65 58.95 2oq3 h LYS 19 Cb 1.19 -0.27 -0.02 0.00 -0.41 0.00 0.00 32.23 32.72 2oq3 h LYS 19 CO 0.61 0.80 0.42 -0.40 -2.27 0.00 0.00 179.45 178.61 2oq3 n ASP 20 N -4.44 -1.38 0.01 4.20 5.75 -1.26 -4.99 116.55 114.43 2oq3 n ASP 20 Ca 0.10 -1.76 0.02 0.00 -0.01 0.00 0.00 54.79 53.14 2oq3 n ASP 20 Cb 0.01 2.25 0.36 0.00 -1.03 0.00 0.00 41.12 42.71 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 1.75 0.52 -0.15 2.11 5.08 -1.90 0.10 115.95 123.45 2oq3 h TRP 21 Ca -0.21 -0.02 -0.00 0.00 1.08 0.00 0.00 58.89 59.73 2oq3 h TRP 21 Cb 0.91 -0.16 -0.01 0.00 -3.00 0.00 0.00 29.16 26.91 2oq3 h TRP 21 CO 0.00 0.43 0.09 1.96 -1.28 0.00 0.00 178.44 179.64 2oq3 h GLN 22 N 0.51 0.20 -0.49 0.12 4.20 -1.96 -1.67 115.11 116.02 2oq3 h GLN 22 Ca 0.12 -0.02 -0.03 0.00 0.06 0.00 0.00 58.65 58.78 2oq3 h GLN 22 Cb 0.15 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 27.86 2oq3 h GLN 22 CO -0.01 0.17 0.17 1.49 -0.67 0.00 0.00 178.83 179.98 2oq3 h GLU 23 N 0.18 0.72 -0.44 1.46 4.57 -1.82 -2.28 114.58 116.98 2oq3 h GLU 23 Ca 0.05 -0.11 -0.06 0.00 -1.18 0.00 0.00 59.36 58.07 2oq3 h GLU 23 Cb 0.02 -0.13 -0.02 0.00 -0.16 0.00 0.00 28.75 28.46 2oq3 h GLU 23 CO -0.01 0.61 0.04 0.00 -1.18 0.00 0.00 179.01 178.48 2oq3 h ALA 24 N 1.48 1.25 -0.14 2.92 0.00 -0.30 0.19 119.26 124.66 2oq3 h ALA 24 Ca 0.17 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 2oq3 h ALA 24 Cb 0.18 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 2oq3 h ALA 24 CO -0.01 0.51 0.01 0.82 0.00 0.00 0.00 179.25 180.58 2oq3 h ILE 25 N 0.66 1.23 -0.26 0.00 1.08 -0.98 -1.63 117.51 117.61 2oq3 h ILE 25 Ca 0.14 -0.75 0.02 0.00 -0.39 0.00 0.00 64.86 63.88 2oq3 h ILE 25 Cb 0.35 1.47 -0.02 0.00 -3.07 0.00 0.00 36.82 35.54 2oq3 h ILE 25 CO 0.01 0.22 0.11 -0.78 -0.69 0.00 0.00 178.15 177.02 2oq3 h ASP 26 N -0.01 0.16 -0.03 1.72 3.58 -0.77 0.06 116.42 121.14 2oq3 h ASP 26 Ca 0.04 0.02 0.01 0.00 0.42 0.00 0.00 57.03 57.52 2oq3 h ASP 26 Cb 0.33 -0.01 -0.00 0.00 1.72 0.00 0.00 39.33 41.37 2oq3 h ASP 26 CO 0.00 0.13 0.02 -0.26 -2.88 0.00 0.00 179.24 176.25 2oq3 h PHE 27 N 0.25 0.00 -0.00 0.28 0.04 -0.69 0.87 116.94 117.69 2oq3 h PHE 27 Ca 0.11 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.88 2oq3 h PHE 27 Cb 0.05 -0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.20 2oq3 h PHE 27 CO -0.11 0.00 -0.23 0.43 -0.60 0.00 0.00 178.31 177.81 2oq3 n SER 28 N -4.53 0.23 0.00 2.17 7.64 -0.12 -4.36 113.62 114.66 2oq3 n SER 28 Ca -0.02 0.14 0.00 0.00 1.01 0.00 0.00 58.87 60.00 2oq3 n SER 28 Cb 0.12 -0.16 0.00 0.00 -1.01 0.00 0.00 64.21 63.16 2oq3 n SER 28 CO 0.00 0.00 0.00 0.23 -3.01 0.00 0.00 175.04 172.26 2oq3 n MET 29 N -1.49 1.66 -0.24 1.43 2.81 -0.45 -4.65 117.12 116.19 2oq3 n MET 29 Ca 0.06 0.00 0.06 0.00 -1.81 0.00 0.00 57.70 56.01 2oq3 n MET 29 Cb 0.34 -0.88 0.31 0.00 -0.71 0.00 0.00 33.22 32.27 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 0.00 2.03 3.04 -1.06 0.75 116.25 122.04 2oq3 h VAL 30 Ca 0.00 -0.29 -0.03 0.00 -1.01 0.00 0.00 66.70 65.37 2oq3 h VAL 30 Cb 0.12 0.09 -0.00 0.00 -2.01 0.00 0.00 31.29 29.48 2oq3 h VAL 30 CO 0.00 0.16 -0.13 0.28 -1.01 0.00 0.00 177.57 176.87 2oq3 h SER 31 N 0.86 0.00 0.15 3.17 0.02 -1.84 0.13 113.55 116.03 2oq3 h SER 31 Ca 0.35 0.00 -0.34 0.00 -0.84 0.00 0.00 61.79 60.96 2oq3 h SER 31 Cb 0.27 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.81 2oq3 h SER 31 CO -0.13 0.13 -1.77 -0.07 -1.14 0.00 0.00 176.83 173.85 2oq3 h LEU 32 N 0.00 0.48 -0.87 5.07 3.38 -1.40 -3.35 115.31 118.63 2oq3 h LEU 32 Ca -0.00 -0.92 0.08 0.00 0.09 0.00 0.00 57.88 57.13 2oq3 h LEU 32 Cb 0.32 -0.16 -0.07 0.00 0.09 0.00 0.00 40.66 40.85 2oq3 h LEU 32 CO 0.02 1.78 0.53 0.25 0.09 0.00 0.00 178.44 181.10 2oq3 h LEU 33 N -0.01 0.80 -1.23 1.67 5.85 -0.38 0.06 115.31 122.07 2oq3 h LEU 33 Ca -0.37 0.03 -0.07 0.00 0.84 0.00 0.00 57.88 58.31 2oq3 h LEU 33 Cb 1.99 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 42.88 2oq3 h LEU 33 CO 0.11 0.48 -0.19 -0.78 -0.34 0.00 0.00 178.44 177.72 2oq3 h ASP 34 N 0.92 0.28 -0.48 1.25 3.58 -0.91 -0.50 116.42 120.56 2oq3 h ASP 34 Ca 0.40 -0.07 0.00 0.00 0.42 0.00 0.00 57.03 57.77 2oq3 h ASP 34 Cb 0.28 -0.08 0.00 0.00 1.72 0.00 0.00 39.33 41.25 2oq3 h ASP 34 CO -0.21 0.50 0.00 0.29 -2.88 0.00 0.00 179.24 176.94 2oq3 n LYS 35 N -4.20 3.22 -4.17 0.28 4.76 -1.05 -4.94 118.16 112.07 2oq3 n LYS 35 Ca -0.01 -2.19 -0.34 0.00 -2.87 0.00 0.00 58.31 52.91 2oq3 n LYS 35 Cb 0.33 -1.80 -0.03 0.00 -1.84 0.00 0.00 35.03 31.69 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 0.73 -2.55 0.26 4.39 0.23 -0.20 -4.87 115.26 113.26 2oq3 n ASN 36 Ca 0.20 -1.02 0.14 0.00 -0.53 0.00 0.00 54.58 53.37 2oq3 n ASN 36 Cb 0.75 -2.79 0.63 0.00 -2.08 0.00 0.00 39.78 36.28 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 -1.59 0.00 -4.03 -2.53 0.05 -1.20 -3.40 116.97 104.27 2oq3 h TYR 37 Ca -0.60 0.00 -0.14 0.00 0.05 0.00 0.00 58.73 58.04 2oq3 h TYR 37 Cb 1.38 0.00 -0.11 0.00 1.01 0.00 0.00 36.73 39.01 2oq3 h TYR 37 CO 0.60 0.09 -0.31 0.96 -1.05 0.00 0.00 178.16 178.45 2oq3 s ILE 38 N -3.73 0.00 0.39 -2.88 -4.36 -1.26 -0.47 121.20 108.89 2oq3 s ILE 38 Ca 0.00 -1.64 0.08 0.00 -0.26 0.00 0.00 60.65 58.83 2oq3 s ILE 38 Cb 0.10 -2.34 -0.02 0.00 1.25 0.00 0.00 42.46 41.45 2oq3 s ILE 38 CO 0.58 0.00 0.37 -0.94 0.24 0.00 0.00 174.94 175.18 2oq3 s SER 39 N -3.08 5.21 0.44 4.36 1.04 -0.18 -4.65 113.70 116.83 2oq3 s SER 39 Ca 0.29 -0.61 0.14 0.00 0.48 0.00 0.00 55.95 56.25 2oq3 s SER 39 Cb 0.02 -0.74 0.98 0.00 0.10 0.00 0.00 66.02 66.38 2oq3 s SER 39 CO 0.11 -0.55 1.98 -0.33 0.98 0.00 0.00 173.24 175.43 2oq3 h GLU 40 N 1.07 0.01 -0.25 4.02 5.08 -1.95 -1.68 114.58 120.88 2oq3 h GLU 40 Ca -0.43 -0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 57.93 2oq3 h GLU 40 Cb 1.26 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.50 2oq3 h GLU 40 CO 0.57 0.20 0.13 -0.97 -1.00 0.00 0.00 179.01 177.94 2oq3 h ASN 41 N 0.01 0.29 -0.67 1.42 -1.24 -1.94 -2.83 115.58 110.63 2oq3 h ASN 41 Ca -0.00 -0.01 0.01 0.00 0.71 0.00 0.00 56.30 57.00 2oq3 h ASN 41 Cb 0.34 -0.07 -0.03 0.00 0.73 0.00 0.00 38.32 39.29 2oq3 h ASN 41 CO 0.03 0.24 0.44 0.22 -1.29 0.00 0.00 177.43 177.07 2oq3 h TYR 42 N 0.34 0.83 -0.22 0.67 3.20 -1.24 0.14 116.97 120.69 2oq3 h TYR 42 Ca 0.09 0.02 0.05 0.00 3.14 0.00 0.00 58.73 62.03 2oq3 h TYR 42 Cb 0.02 -0.28 -0.04 0.00 1.54 0.00 0.00 36.73 37.96 2oq3 h TYR 42 CO 0.00 0.52 -0.06 0.82 -1.64 0.00 0.00 178.16 177.80 2oq3 h ILE 43 N 0.90 0.76 0.00 1.81 5.03 -1.62 -2.40 117.51 121.99 2oq3 h ILE 43 Ca 0.25 0.00 -0.06 0.00 -0.12 0.00 0.00 64.86 64.92 2oq3 h ILE 43 Cb -0.09 0.76 -0.01 0.00 -3.03 0.00 0.00 36.82 34.44 2oq3 h ILE 43 CO -0.06 0.00 -0.31 -0.61 -0.68 0.00 0.00 178.15 176.50 2oq3 h GLN 44 N -0.01 0.00 -0.52 2.37 5.75 -1.30 -2.52 115.11 118.88 2oq3 h GLN 44 Ca 0.11 0.00 -0.02 0.00 -0.15 0.00 0.00 58.65 58.59 2oq3 h GLN 44 Cb 0.18 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 28.71 2oq3 h GLN 44 CO -0.24 0.31 0.24 0.00 -2.65 0.00 0.00 178.83 176.49 2oq3 h ALA 45 N 1.69 0.68 -0.35 3.38 0.00 -0.28 1.00 119.26 125.38 2oq3 h ALA 45 Ca -0.00 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 2oq3 h ALA 45 Cb 0.81 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 2oq3 h ALA 45 CO 0.04 0.25 0.11 0.82 0.00 0.00 0.00 179.25 180.47 2oq3 h ILE 46 N 0.70 1.21 -0.72 0.00 2.04 -1.16 -1.36 117.51 118.21 2oq3 h ILE 46 Ca 0.18 -0.67 -0.02 0.00 1.00 0.00 0.00 64.86 65.35 2oq3 h ILE 46 Cb 0.14 1.00 -0.03 0.00 -0.74 0.00 0.00 36.82 37.18 2oq3 h ILE 46 CO -0.02 0.23 0.38 0.11 0.00 0.00 0.00 178.15 178.85 2oq3 h LYS 47 N 0.41 1.01 -0.47 2.37 1.57 -1.19 0.28 116.57 120.55 2oq3 h LYS 47 Ca 0.11 -0.12 -0.04 0.00 -1.87 0.00 0.00 60.65 58.73 2oq3 h LYS 47 Cb 0.25 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.34 2oq3 h LYS 47 CO -0.00 0.76 0.12 0.22 -0.57 0.00 0.00 179.45 179.97 2oq3 h ASP 48 N 1.01 0.71 -0.89 0.86 3.58 -0.47 0.41 116.42 121.63 2oq3 h ASP 48 Ca 0.25 -0.23 0.03 0.00 0.42 0.00 0.00 57.03 57.51 2oq3 h ASP 48 Cb 0.05 -0.19 -0.05 0.00 1.72 0.00 0.00 39.33 40.87 2oq3 h ASP 48 CO -0.04 0.75 0.59 0.28 -2.88 0.00 0.00 179.24 177.94 2oq3 h SER 49 N 0.64 0.98 -0.69 2.28 0.02 -0.82 -0.99 113.55 114.97 2oq3 h SER 49 Ca 0.15 -0.02 -0.07 0.00 -0.84 0.00 0.00 61.79 61.02 2oq3 h SER 49 Cb 0.31 -0.23 -0.03 0.00 0.14 0.00 0.00 62.40 62.59 2oq3 h SER 49 CO 0.00 0.69 0.18 0.74 -1.14 0.00 0.00 176.83 177.29 2oq3 h THR 50 N 1.15 1.26 -0.48 -2.27 2.02 -0.16 0.05 112.91 114.48 2oq3 h THR 50 Ca 0.35 -0.96 -0.02 0.00 0.77 0.00 0.00 66.41 66.55 2oq3 h THR 50 Cb -0.03 0.55 -0.02 0.00 -1.74 0.00 0.00 68.15 66.91 2oq3 h THR 50 CO -0.10 0.37 0.20 0.40 0.37 0.00 0.00 175.52 176.76 2oq3 h ILE 51 N 1.04 1.20 -0.13 3.11 2.04 -0.50 -0.46 117.51 123.81 2oq3 h ILE 51 Ca 0.22 -0.61 -0.18 0.00 1.00 0.00 0.00 64.86 65.29 2oq3 h ILE 51 Cb 0.36 0.72 -0.00 0.00 -0.74 0.00 0.00 36.82 37.16 2oq3 h ILE 51 CO 0.00 0.23 -0.67 0.78 0.00 0.00 0.00 178.15 178.49 2oq3 h ASN 52 N 0.63 0.61 0.00 1.72 2.35 -0.63 -3.39 115.58 116.87 2oq3 h ASN 52 Ca 0.16 -0.37 0.00 0.00 -0.55 0.00 0.00 56.30 55.54 2oq3 h ASN 52 Cb 0.17 -0.18 0.00 0.00 0.05 0.00 0.00 38.32 38.36 2oq3 h ASN 52 CO -0.02 1.11 0.00 -3.20 -1.65 0.00 0.00 177.43 173.67 2oq3 n ASN 53 N -3.90 0.00 -0.53 5.81 5.15 -0.05 -5.09 115.26 116.65 2oq3 n ASN 53 Ca -0.04 -1.00 0.00 0.00 -0.60 0.00 0.00 54.58 52.94 2oq3 n ASN 53 Cb 0.67 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.92 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 -1.45 3.59 8.20 0.00 -0.18 -4.57 105.19 110.78 2oq3 n GLY 54 Ca 0.00 -1.19 -0.42 0.00 0.00 0.00 0.00 46.02 44.41 2oq3 n GLY 54 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2oq3 s PRO 55 N 0.00 3.10 0.00 1.61 0.04 -1.26 -3.99 135.00 134.49 2oq3 s PRO 55 Ca 0.00 1.63 0.26 0.00 0.04 0.00 0.00 61.00 62.93 2oq3 s PRO 55 Cb 0.00 -4.32 1.00 0.00 0.04 0.00 0.00 34.50 31.23 2oq3 s PRO 55 CO 0.00 -2.14 1.71 2.48 0.04 0.00 0.00 177.00 179.09 2oq3 n TYR 56 N 11.53 0.05 -3.81 0.56 4.11 -1.26 -4.47 117.16 123.87 2oq3 n TYR 56 Ca 0.27 -0.03 -0.29 0.00 -0.00 0.00 0.00 57.90 57.85 2oq3 n TYR 56 Cb 0.47 0.00 -0.16 0.00 -0.00 0.00 0.00 39.34 39.65 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 -1.95 1.63 -0.02 -3.48 1.51 -1.26 -5.08 117.35 108.69 2oq3 s TYR 57 Ca 0.37 -1.30 -0.01 0.00 -1.01 0.00 0.00 57.07 55.12 2oq3 s TYR 57 Cb 0.20 -1.32 0.02 0.00 -0.11 0.00 0.00 41.96 40.75 2oq3 s TYR 57 CO 0.32 -0.70 0.05 0.42 -1.11 0.00 0.00 175.55 174.53 2oq3 s ILE 58 N 1.65 -0.03 0.00 2.71 -1.09 -1.26 -2.04 121.20 121.15 2oq3 s ILE 58 Ca -0.01 0.11 0.00 0.00 -2.23 0.00 0.00 60.65 58.52 2oq3 s ILE 58 Cb -0.18 -0.10 0.00 0.00 -1.58 0.00 0.00 42.46 40.61 2oq3 s ILE 58 CO -0.09 0.05 0.00 0.18 -1.23 0.00 0.00 174.94 173.84 2oq3 n LEU 59 N 3.68 0.00 -3.53 2.97 4.32 -0.71 -4.96 117.00 118.77 2oq3 n LEU 59 Ca -0.21 0.00 -0.11 0.00 -0.02 0.00 0.00 56.01 55.67 2oq3 n LEU 59 Cb 0.55 0.00 -0.03 0.00 -1.62 0.00 0.00 43.42 42.32 2oq3 n LEU 59 CO 0.23 0.00 0.30 0.00 -1.22 0.00 0.00 177.39 176.70 2oq3 s ALA 60 N -1.00 -1.30 0.01 -1.18 0.00 -1.21 -4.91 121.76 112.16 2oq3 s ALA 60 Ca 0.00 0.23 -0.32 0.00 0.00 0.00 0.00 51.96 51.87 2oq3 s ALA 60 Cb 0.00 0.81 -0.11 0.00 0.00 0.00 0.00 23.12 23.82 2oq3 s ALA 60 CO 0.00 -0.73 1.90 -0.35 0.00 0.00 0.00 175.76 176.58 2oq3 n PRO 61 N -0.32 2.54 -0.52 0.00 -0.04 -1.26 -1.19 135.00 134.21 2oq3 n PRO 61 Ca -0.16 0.93 0.00 0.00 -0.04 0.00 0.00 63.50 64.23 2oq3 n PRO 61 Cb 0.64 -2.82 0.00 0.00 -0.04 0.00 0.00 33.50 31.28 2oq3 n PRO 61 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2oq3 n GLY 62 N 4.39 0.76 2.81 0.55 0.00 -1.25 -4.98 105.19 107.46 2oq3 n GLY 62 Ca 0.21 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.98 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 -2.78 0.61 0.32 1.61 1.01 -0.34 -0.74 120.40 120.10 2oq3 s VAL 63 Ca 0.00 -0.11 0.10 0.00 0.00 0.00 0.00 61.98 61.97 2oq3 s VAL 63 Cb 0.00 -0.77 -0.05 0.00 0.00 0.00 0.00 36.38 35.56 2oq3 s VAL 63 CO 0.00 0.23 -0.02 0.00 0.00 0.00 0.00 175.10 175.31 2oq3 s ALA 64 N 1.87 3.13 -0.40 5.51 0.00 -0.17 -1.74 121.76 129.96 2oq3 s ALA 64 Ca 0.04 -1.90 0.11 0.00 0.00 0.00 0.00 51.96 50.21 2oq3 s ALA 64 Cb -0.13 -0.42 0.34 0.00 0.00 0.00 0.00 23.12 22.91 2oq3 s ALA 64 CO -0.06 0.13 0.73 -0.12 0.00 0.00 0.00 175.76 176.44 2oq3 n MET 65 N -0.89 1.19 0.00 0.00 0.00 -0.86 -1.78 117.12 114.77 2oq3 n MET 65 Ca -0.05 -3.53 0.00 0.00 0.00 0.00 0.00 57.70 54.13 2oq3 n MET 65 Cb 0.61 -1.72 0.00 0.00 0.00 0.00 0.00 33.22 32.11 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 0.34 0.00 -1.23 2.12 -0.02 -1.20 -4.74 135.00 130.28 2oq3 n PRO 66 Ca 0.25 0.12 0.14 0.00 -2.02 0.00 0.00 63.50 61.99 2oq3 n PRO 66 Cb 0.62 -0.40 -0.06 0.00 -0.02 0.00 0.00 33.50 33.63 2oq3 n PRO 66 CO 0.00 0.00 0.00 1.58 1.98 0.00 0.00 175.50 179.06 2oq3 n HIS 67 N -0.34 -2.90 -3.99 6.00 -0.00 -1.26 -4.64 115.22 108.09 2oq3 n HIS 67 Ca 0.00 1.57 -0.08 0.00 -0.00 0.00 0.00 57.72 59.21 2oq3 n HIS 67 Cb 0.00 -2.64 -0.10 0.00 -0.00 0.00 0.00 29.99 27.25 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 -3.99 0.15 0.52 1.57 0.00 -1.26 -4.73 121.76 114.01 2oq3 s ALA 68 Ca 0.00 -0.78 -0.20 0.00 0.00 0.00 0.00 51.96 50.98 2oq3 s ALA 68 Cb 0.00 0.25 -0.09 0.00 0.00 0.00 0.00 23.12 23.28 2oq3 s ALA 68 CO 0.00 -0.31 0.74 0.54 0.00 0.00 0.00 175.76 176.73 2oq3 n ARG 69 N 0.67 0.80 -0.32 0.00 1.74 -1.26 -4.82 116.66 113.47 2oq3 n ARG 69 Ca -0.18 0.30 0.17 0.00 -0.77 0.00 0.00 57.85 57.37 2oq3 n ARG 69 Cb 0.59 -1.85 0.36 0.00 -1.02 0.00 0.00 32.46 30.53 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 0.69 0.36 0.00 5.56 0.11 -1.93 -0.19 132.00 136.59 2oq3 h PRO 70 Ca -0.45 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2oq3 h PRO 70 Cb 1.38 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.41 2oq3 h PRO 70 CO 0.51 0.24 0.00 -0.85 -0.21 0.00 0.00 178.00 177.68 2oq3 n GLU 71 N -5.06 0.13 0.00 1.05 0.28 -1.26 -1.10 120.64 114.68 2oq3 n GLU 71 Ca 0.25 0.59 0.15 0.00 -0.16 0.00 0.00 57.16 57.99 2oq3 n GLU 71 Cb 0.76 -1.90 0.84 0.00 1.43 0.00 0.00 31.44 32.57 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 1.14 1.06 3.77 0.00 0.00 -0.89 -3.11 105.19 107.15 2oq3 n GLY 73 Ca 0.19 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.85 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 -1.13 2.79 0.00 4.61 0.00 -0.26 -1.01 121.76 126.75 2oq3 s ALA 74 Ca 0.00 0.88 0.00 0.00 0.00 0.00 0.00 51.96 52.84 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 -0.75 0.00 1.28 0.00 0.00 0.00 175.76 176.29 2oq3 n LEU 75 N -1.02 0.27 -4.03 0.00 4.77 0.38 -4.85 117.00 112.52 2oq3 n LEU 75 Ca 0.10 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.99 2oq3 n LEU 75 Cb 0.50 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.50 2oq3 n LEU 75 CO 0.44 0.05 -0.20 -0.54 -1.33 0.00 0.00 177.39 175.81 2oq3 s LYS 76 N -1.41 0.90 -0.25 3.23 1.02 -0.49 -4.77 119.74 117.98 2oq3 s LYS 76 Ca 0.00 -1.23 -0.13 0.00 0.02 0.00 0.00 55.97 54.63 2oq3 s LYS 76 Cb 0.00 0.29 -0.04 0.00 -0.52 0.00 0.00 37.83 37.56 2oq3 s LYS 76 CO 0.00 -0.27 0.27 0.99 -0.92 0.00 0.00 175.35 175.42 2oq3 s THR 77 N -3.96 5.27 0.18 2.17 2.01 -1.26 -3.79 115.64 116.25 2oq3 s THR 77 Ca 0.15 0.39 -0.22 0.00 0.31 0.00 0.00 61.69 62.32 2oq3 s THR 77 Cb 0.06 -3.61 0.08 0.00 0.01 0.00 0.00 72.50 69.04 2oq3 s THR 77 CO -0.04 0.25 1.06 -0.83 -0.69 0.00 0.00 174.62 174.38 2oq3 s GLY 78 N 1.37 0.13 0.21 4.40 0.00 0.13 -4.91 107.32 108.66 2oq3 s GLY 78 Ca 0.12 -0.37 -0.10 0.00 0.00 0.00 0.00 44.72 44.37 2oq3 s GLY 78 CO 0.08 2.94 0.37 1.06 0.00 0.00 0.00 173.10 177.55 2oq3 s MET 79 N -2.07 1.37 0.16 2.90 -1.94 0.55 -0.70 119.30 119.58 2oq3 s MET 79 Ca 0.23 -1.27 -0.10 0.00 -1.71 0.00 0.00 55.69 52.85 2oq3 s MET 79 Cb -0.03 0.42 -0.00 0.00 2.01 0.00 0.00 34.83 37.23 2oq3 s MET 79 CO 0.05 -0.54 0.31 -1.54 -0.01 0.00 0.00 175.02 173.29 2oq3 s SER 80 N -3.02 0.01 -0.37 3.03 1.04 -0.64 -4.39 113.70 109.36 2oq3 s SER 80 Ca 0.23 -0.81 0.03 0.00 0.48 0.00 0.00 55.95 55.87 2oq3 s SER 80 Cb 0.02 0.45 0.15 0.00 0.10 0.00 0.00 66.02 66.74 2oq3 s SER 80 CO 0.06 -0.91 0.34 -0.22 0.98 0.00 0.00 173.24 173.50 2oq3 s LEU 81 N -2.95 0.17 -0.01 2.42 2.96 0.59 -0.79 118.68 121.08 2oq3 s LEU 81 Ca 0.16 -1.74 -0.07 0.00 -0.22 0.00 0.00 54.13 52.26 2oq3 s LEU 81 Cb 0.03 0.35 -0.05 0.00 0.50 0.00 0.00 46.19 47.02 2oq3 s LEU 81 CO -0.01 -0.27 0.27 -0.89 -1.32 0.00 0.00 176.35 174.13 2oq3 s THR 82 N 1.32 5.30 -0.02 3.68 2.01 -0.44 -1.54 115.64 125.96 2oq3 s THR 82 Ca 0.17 0.22 0.02 0.00 0.31 0.00 0.00 61.69 62.42 2oq3 s THR 82 Cb -0.17 -3.56 0.00 0.00 0.01 0.00 0.00 72.50 68.78 2oq3 s THR 82 CO -0.02 0.41 -0.08 -0.22 -0.69 0.00 0.00 174.62 174.02 2oq3 s LEU 83 N -1.63 1.82 -0.23 4.42 2.96 -0.70 -1.53 118.68 123.79 2oq3 s LEU 83 Ca 0.26 -0.16 -0.01 0.00 -0.22 0.00 0.00 54.13 54.00 2oq3 s LEU 83 Cb -0.13 -0.47 0.02 0.00 0.50 0.00 0.00 46.19 46.10 2oq3 s LEU 83 CO 0.15 0.06 -0.08 -0.76 -1.32 0.00 0.00 176.35 174.40 2oq3 s LEU 84 N 0.13 3.00 0.34 -0.68 2.01 0.66 -0.95 118.68 123.19 2oq3 s LEU 84 Ca -0.02 -0.80 0.06 0.00 0.01 0.00 0.00 54.13 53.38 2oq3 s LEU 84 Cb -0.07 -1.64 0.60 0.00 0.01 0.00 0.00 46.19 45.09 2oq3 s LEU 84 CO 0.00 -0.10 1.83 -0.33 1.01 0.00 0.00 176.35 178.77 2oq3 h GLU 85 N 8.00 0.39 0.00 1.70 4.39 -0.58 -1.30 114.58 127.18 2oq3 h GLU 85 Ca -0.35 -0.11 0.00 0.00 0.34 0.00 0.00 59.36 59.24 2oq3 h GLU 85 Cb 1.12 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.72 2oq3 h GLU 85 CO 0.58 0.53 -0.37 1.04 -1.16 0.00 0.00 179.01 179.64 2oq3 n GLN 86 N -4.21 0.20 -0.83 2.33 1.13 0.05 -5.04 117.38 111.00 2oq3 n GLN 86 Ca -0.00 0.09 0.11 0.00 -1.94 0.00 0.00 57.00 55.26 2oq3 n GLN 86 Cb 0.32 -1.66 -0.03 0.00 0.11 0.00 0.00 30.24 28.97 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 1.38 -1.83 3.22 1.08 0.00 -0.49 -4.97 105.19 103.57 2oq3 n GLY 87 Ca 0.05 -1.31 -0.09 0.00 0.00 0.00 0.00 46.02 44.67 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 -1.98 0.14 -0.42 1.61 0.11 -0.55 -4.53 120.40 114.77 2oq3 s VAL 88 Ca 0.00 -1.31 -0.07 0.00 -2.93 0.00 0.00 61.98 57.67 2oq3 s VAL 88 Cb 0.00 -1.47 0.09 0.00 -1.53 0.00 0.00 36.38 33.47 2oq3 s VAL 88 CO 0.00 -0.61 0.24 -0.47 -3.33 0.00 0.00 175.10 170.93 2oq3 s TYR 89 N -3.89 3.41 0.38 1.54 5.04 -1.26 -0.37 117.35 122.20 2oq3 s TYR 89 Ca 0.08 -1.85 -0.27 0.00 -2.44 0.00 0.00 57.07 52.59 2oq3 s TYR 89 Cb 0.05 -3.08 -0.09 0.00 0.35 0.00 0.00 41.96 39.19 2oq3 s TYR 89 CO -0.08 -0.91 1.28 -0.06 -1.34 0.00 0.00 175.55 174.44 2oq3 s PHE 90 N 1.33 2.94 0.31 4.97 0.40 -1.26 -4.63 117.98 122.04 2oq3 s PHE 90 Ca 0.04 1.44 -0.29 0.00 -0.60 0.00 0.00 56.93 57.52 2oq3 s PHE 90 Cb -0.23 -3.62 -0.11 0.00 0.51 0.00 0.00 43.02 39.57 2oq3 s PHE 90 CO -0.00 -1.87 1.44 -1.25 0.70 0.00 0.00 175.22 174.24 2oq3 s PRO 91 N -2.10 4.23 0.00 0.24 0.04 -1.26 -3.20 135.00 132.94 2oq3 s PRO 91 Ca 0.54 2.39 0.00 0.00 0.04 0.00 0.00 61.00 63.97 2oq3 s PRO 91 Cb -0.37 -3.05 0.00 0.00 0.04 0.00 0.00 34.50 31.12 2oq3 s PRO 91 CO 0.48 -0.42 0.00 0.41 0.04 0.00 0.00 177.00 177.51 2oq3 n GLY 92 N 1.36 0.57 3.82 0.56 0.00 -1.26 -4.16 105.19 106.08 2oq3 n GLY 92 Ca 0.04 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.56 4.40 0.23 1.61 2.47 -1.19 -4.98 114.94 114.91 2oq3 s ASN 93 Ca 0.00 1.17 -0.06 0.00 0.42 0.00 0.00 52.86 54.40 2oq3 s ASN 93 Cb 0.00 -1.86 0.21 0.00 -1.45 0.00 0.00 41.25 38.15 2oq3 s ASN 93 CO 0.00 -2.01 1.75 -0.78 -3.72 0.00 0.00 177.10 172.33 2oq3 h ASP 94 N -1.12 0.97 -5.21 -4.21 3.58 -1.94 -3.47 116.42 105.02 2oq3 h ASP 94 Ca -0.47 -0.20 -0.04 0.00 0.42 0.00 0.00 57.03 56.73 2oq3 h ASP 94 Cb 1.28 -0.26 -0.09 0.00 1.72 0.00 0.00 39.33 41.99 2oq3 h ASP 94 CO 0.61 0.95 -0.08 -1.83 -2.88 0.00 0.00 179.24 176.00 2oq3 s GLU 95 N -5.24 1.54 0.93 0.28 -1.05 -1.26 -5.17 118.70 108.72 2oq3 s GLU 95 Ca -0.11 -1.19 -0.12 0.00 -0.15 0.00 0.00 54.97 53.40 2oq3 s GLU 95 Cb 0.15 0.48 0.09 0.00 -0.44 0.00 0.00 34.13 34.41 2oq3 s GLU 95 CO 0.83 -0.64 0.78 -2.30 0.95 0.00 0.00 175.26 174.88 2oq3 n PRO 96 N -0.38 -0.35 -3.99 -4.83 -0.02 -1.26 -4.73 135.00 119.45 2oq3 n PRO 96 Ca -0.03 -0.05 -0.35 0.00 -2.02 0.00 0.00 63.50 61.05 2oq3 n PRO 96 Cb 0.62 -2.12 -0.13 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 -2.49 4.01 -0.04 4.25 -1.09 0.51 -3.89 121.20 122.45 2oq3 s ILE 97 Ca 0.62 -0.29 0.07 0.00 -2.23 0.00 0.00 60.65 58.83 2oq3 s ILE 97 Cb -0.23 -2.83 -0.24 0.00 -1.58 0.00 0.00 42.46 37.59 2oq3 s ILE 97 CO 0.62 0.41 0.66 0.11 -1.23 0.00 0.00 174.94 175.51 2oq3 h LYS 98 N 7.67 0.08 -5.21 2.79 1.57 -1.18 -1.47 116.57 120.81 2oq3 h LYS 98 Ca -0.37 -0.13 -0.44 0.00 -1.87 0.00 0.00 60.65 57.84 2oq3 h LYS 98 Cb 1.18 0.05 -0.26 0.00 0.08 0.00 0.00 32.23 33.27 2oq3 h LYS 98 CO 0.61 0.72 -0.79 -1.17 -0.57 0.00 0.00 179.45 178.25 2oq3 s LEU 99 N -6.40 2.13 -0.21 2.94 2.96 -0.60 -0.25 118.68 119.26 2oq3 s LEU 99 Ca -0.08 -0.39 -0.02 0.00 -0.22 0.00 0.00 54.13 53.42 2oq3 s LEU 99 Cb 0.08 -0.59 0.06 0.00 0.50 0.00 0.00 46.19 46.24 2oq3 s LEU 99 CO 0.82 0.06 0.03 -0.76 -1.32 0.00 0.00 176.35 175.17 2oq3 s LEU 100 N -0.89 1.49 -0.35 -0.68 1.02 -0.58 -1.00 118.68 117.70 2oq3 s LEU 100 Ca 0.02 -0.95 -0.23 0.00 0.02 0.00 0.00 54.13 53.00 2oq3 s LEU 100 Cb -0.07 -0.71 0.01 0.00 0.02 0.00 0.00 46.19 45.44 2oq3 s LEU 100 CO 0.01 -0.30 0.76 -0.63 0.02 0.00 0.00 176.35 176.20 2oq3 s ILE 101 N 1.77 4.78 0.42 -0.59 1.01 -0.74 -1.33 121.20 126.52 2oq3 s ILE 101 Ca -0.01 0.92 -0.14 0.00 0.00 0.00 0.00 60.65 61.42 2oq3 s ILE 101 Cb -0.17 -4.17 -0.08 0.00 0.01 0.00 0.00 42.46 38.05 2oq3 s ILE 101 CO -0.09 -0.36 0.84 -0.83 0.00 0.00 0.00 174.94 174.50 2oq3 s GLY 102 N 1.77 2.09 -0.04 6.18 0.00 0.03 -3.24 107.32 114.11 2oq3 s GLY 102 Ca 0.30 0.01 -0.07 0.00 0.00 0.00 0.00 44.72 44.96 2oq3 s GLY 102 CO 0.15 0.24 0.18 -2.27 0.00 0.00 0.00 173.10 171.40 2oq3 s LEU 103 N -3.69 1.35 -0.02 0.66 0.20 -1.26 -1.62 118.68 114.30 2oq3 s LEU 103 Ca 0.55 0.14 -0.03 0.00 0.69 0.00 0.00 54.13 55.48 2oq3 s LEU 103 Cb -0.10 0.70 0.00 0.00 -0.43 0.00 0.00 46.19 46.36 2oq3 s LEU 103 CO 0.27 -0.20 0.08 -0.44 -0.29 0.00 0.00 176.35 175.76 2oq3 s SER 104 N -0.55 -0.03 -0.08 3.68 0.01 0.12 -4.34 113.70 112.52 2oq3 s SER 104 Ca -0.06 0.04 -0.06 0.00 1.31 0.00 0.00 55.95 57.18 2oq3 s SER 104 Cb -0.04 0.17 0.03 0.00 0.21 0.00 0.00 66.02 66.38 2oq3 s SER 104 CO 0.01 -0.10 0.19 0.00 0.41 0.00 0.00 173.24 173.74 2oq3 s ALA 105 N -0.32 -0.44 -0.07 1.44 0.00 -1.25 -0.69 121.76 120.43 2oq3 s ALA 105 Ca -0.04 0.64 0.18 0.00 0.00 0.00 0.00 51.96 52.75 2oq3 s ALA 105 Cb -0.03 -0.39 0.38 0.00 0.00 0.00 0.00 23.12 23.08 2oq3 s ALA 105 CO 0.00 -0.12 1.59 0.00 0.00 0.00 0.00 175.76 177.23 2oq3 h ALA 106 N 6.36 0.83 -2.49 0.00 0.00 -1.86 -3.38 119.26 118.72 2oq3 h ALA 106 Ca -0.31 -0.34 -0.11 0.00 0.00 0.00 0.00 54.91 54.14 2oq3 h ALA 106 Cb 1.18 -0.06 -0.16 0.00 0.00 0.00 0.00 17.79 18.75 2oq3 h ALA 106 CO 0.39 0.47 -0.53 0.34 0.00 0.00 0.00 179.25 179.93 2oq3 s ASP 107 N -6.37 0.25 0.38 0.00 2.15 -1.26 -4.93 116.67 106.89 2oq3 s ASP 107 Ca 0.03 -0.68 0.06 0.00 0.43 0.00 0.00 52.55 52.38 2oq3 s ASP 107 Cb 0.08 0.25 0.78 0.00 -0.30 0.00 0.00 42.92 43.73 2oq3 s ASP 107 CO 0.70 -0.58 2.02 0.00 -0.17 0.00 0.00 175.17 177.14 2oq3 h ALA 108 N 3.31 1.68 -0.01 3.66 0.00 -1.99 0.45 119.26 126.37 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 1.18 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 2oq3 h ALA 108 CO 0.56 0.27 -0.83 0.22 0.00 0.00 0.00 179.25 179.47 2oq3 h ASP 109 N 0.68 0.22 -0.68 0.00 3.58 -1.99 -0.85 116.42 117.38 2oq3 h ASP 109 Ca 0.21 -0.17 -0.02 0.00 0.42 0.00 0.00 57.03 57.47 2oq3 h ASP 109 Cb 0.03 -0.07 -0.03 0.00 1.72 0.00 0.00 39.33 40.98 2oq3 h ASP 109 CO -0.05 0.95 0.35 0.28 -2.88 0.00 0.00 179.24 177.89 2oq3 h SER 110 N 0.10 0.87 -0.20 2.28 0.02 -1.77 -0.87 113.55 113.98 2oq3 h SER 110 Ca -0.03 -0.12 0.03 0.00 -0.84 0.00 0.00 61.79 60.83 2oq3 h SER 110 Cb 1.44 -0.22 -0.03 0.00 0.14 0.00 0.00 62.40 63.73 2oq3 h SER 110 CO 0.12 0.74 0.04 -0.74 -1.14 0.00 0.00 176.83 175.85 2oq3 h HIS 111 N 0.94 0.06 0.24 3.45 -0.00 -0.70 -0.87 115.15 118.27 2oq3 h HIS 111 Ca 0.24 0.01 0.01 0.00 -0.00 0.00 0.00 60.37 60.62 2oq3 h HIS 111 Cb 0.08 0.00 -0.02 0.00 -0.00 0.00 0.00 27.41 27.47 2oq3 h HIS 111 CO 0.00 0.02 -0.28 0.82 -0.00 0.00 0.00 177.93 178.49 2oq3 h ILE 112 N 0.12 0.41 -0.90 6.26 1.08 -0.83 0.12 117.51 123.77 2oq3 h ILE 112 Ca 0.09 0.00 0.01 0.00 -0.39 0.00 0.00 64.86 64.58 2oq3 h ILE 112 Cb 0.09 0.41 -0.05 0.00 -3.07 0.00 0.00 36.82 34.20 2oq3 h ILE 112 CO -0.12 0.00 0.59 1.23 -0.69 0.00 0.00 178.15 179.16 2oq3 h GLY 113 N -0.56 1.27 0.59 5.37 0.00 -1.01 -0.66 103.07 108.07 2oq3 h GLY 113 Ca 0.00 -0.46 -0.00 0.00 0.00 0.00 0.00 47.33 46.86 2oq3 h GLY 113 CO -0.08 0.44 -0.00 0.00 0.00 0.00 0.00 176.54 176.90 2oq3 h ALA 114 N 1.45 0.01 -0.79 3.60 0.00 -0.86 -2.46 119.26 120.20 2oq3 h ALA 114 Ca 0.34 -0.21 0.08 0.00 0.00 0.00 0.00 54.91 55.11 2oq3 h ALA 114 Cb -0.10 -0.00 -0.07 0.00 0.00 0.00 0.00 17.79 17.62 2oq3 h ALA 114 CO -0.08 -0.28 0.46 0.82 0.00 0.00 0.00 179.25 180.17 2oq3 h ILE 115 N -0.40 0.94 0.00 0.00 1.08 -0.47 -0.14 117.51 118.52 2oq3 h ILE 115 Ca 0.00 -0.27 0.00 0.00 -0.39 0.00 0.00 64.86 64.20 2oq3 h ILE 115 Cb 0.42 0.08 0.00 0.00 -3.07 0.00 0.00 36.82 34.25 2oq3 h ILE 115 CO 0.00 0.14 0.00 0.00 -0.69 0.00 0.00 178.15 177.61 2oq3 n GLN 116 N -4.74 0.19 0.05 2.37 1.13 -0.28 -0.54 117.38 115.57 2oq3 n GLN 116 Ca 0.12 0.43 -0.22 0.00 -1.94 0.00 0.00 57.00 55.39 2oq3 n GLN 116 Cb 0.24 -1.87 -0.15 0.00 0.11 0.00 0.00 30.24 28.57 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 2.26 0.07 0.00 -1.58 0.00 -0.58 -3.36 119.26 116.07 2oq3 h ALA 117 Ca 0.00 -0.99 -0.09 0.00 0.00 0.00 0.00 54.91 53.83 2oq3 h ALA 117 Cb 0.35 0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 2oq3 h ALA 117 CO 0.00 0.77 -0.41 -0.07 0.00 0.00 0.00 179.25 179.55 2oq3 h LEU 118 N -0.14 0.00 -2.37 0.00 3.38 -0.37 -0.75 115.31 115.06 2oq3 h LEU 118 Ca -0.28 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.72 2oq3 h LEU 118 Cb 1.89 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.64 2oq3 h LEU 118 CO 0.14 0.41 0.19 0.28 0.09 0.00 0.00 178.44 179.55 2oq3 h SER 119 N 0.00 0.00 1.58 -0.43 0.02 -0.96 0.89 113.55 114.65 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 0.75 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.29 2oq3 h SER 119 CO 0.05 0.00 0.00 -0.33 -1.14 0.00 0.00 176.83 175.41 2oq3 h GLU 120 N 0.00 0.00 0.00 3.45 4.39 -1.29 -3.18 114.58 117.95 2oq3 h GLU 120 Ca 0.04 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.74 2oq3 h GLU 120 Cb 0.42 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.07 2oq3 h GLU 120 CO -0.00 0.00 -0.72 1.28 -1.16 0.00 0.00 179.01 178.41 2oq3 n LEU 121 N -2.82 1.57 0.26 1.33 4.77 0.13 -4.47 117.00 117.77 2oq3 n LEU 121 Ca 0.04 0.26 0.10 0.00 -0.03 0.00 0.00 56.01 56.37 2oq3 n LEU 121 Cb 0.44 -0.64 0.67 0.00 -2.33 0.00 0.00 43.42 41.56 2oq3 n LEU 121 CO 0.31 -0.37 1.00 -0.07 -1.33 0.00 0.00 177.39 176.92 2oq3 h LEU 122 N -0.72 0.00 -3.63 2.23 -0.00 -1.27 -2.56 115.31 109.36 2oq3 h LEU 122 Ca 0.00 0.00 -0.32 0.00 -0.00 0.00 0.00 57.88 57.56 2oq3 h LEU 122 Cb 0.72 0.00 -0.19 0.00 -0.00 0.00 0.00 40.66 41.19 2oq3 h LEU 122 CO 0.00 0.10 0.24 0.00 -0.00 0.00 0.00 178.44 178.78 2oq3 s GLU 124 N -3.25 0.94 0.59 0.00 0.41 -0.96 -4.97 118.70 111.45 2oq3 s GLU 124 Ca 0.50 -0.93 0.29 0.00 -0.41 0.00 0.00 54.97 54.42 2oq3 s GLU 124 Cb 0.44 -2.22 1.74 0.00 -1.78 0.00 0.00 34.13 32.30 2oq3 s GLU 124 CO 0.05 -0.81 2.19 1.05 -0.49 0.00 0.00 175.26 177.25 2oq3 h GLU 125 N 8.07 0.00 -0.12 1.61 4.11 -1.87 -0.14 114.58 126.25 2oq3 h GLU 125 Ca -0.15 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.27 2oq3 h GLU 125 Cb 1.06 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.30 2oq3 h GLU 125 CO 0.43 0.00 0.01 0.93 0.07 0.00 0.00 179.01 180.45 2oq3 h GLU 126 N 0.00 0.20 -0.61 1.06 5.08 -1.95 -0.92 114.58 117.45 2oq3 h GLU 126 Ca 0.04 -0.06 -0.04 0.00 -1.00 0.00 0.00 59.36 58.30 2oq3 h GLU 126 Cb 0.21 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.41 2oq3 h GLU 126 CO -0.00 0.41 0.22 0.82 -1.00 0.00 0.00 179.01 179.46 2oq3 h ILE 127 N -0.04 1.24 -0.37 3.13 5.03 -1.49 -1.47 117.51 123.53 2oq3 h ILE 127 Ca 0.03 -0.77 -0.01 0.00 -0.12 0.00 0.00 64.86 64.00 2oq3 h ILE 127 Cb 0.31 0.59 -0.02 0.00 -3.03 0.00 0.00 36.82 34.68 2oq3 h ILE 127 CO 0.00 0.30 0.20 -0.07 -0.68 0.00 0.00 178.15 177.90 2oq3 h LEU 128 N 0.86 0.45 -0.27 1.44 3.38 -0.89 0.39 115.31 120.66 2oq3 h LEU 128 Ca 0.20 -0.03 -0.10 0.00 0.09 0.00 0.00 57.88 58.04 2oq3 h LEU 128 Cb 0.24 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 2oq3 h LEU 128 CO -0.01 0.37 -0.22 -0.33 0.09 0.00 0.00 178.44 178.34 2oq3 h GLU 129 N 0.52 0.63 -0.27 1.13 5.08 -0.78 -0.49 114.58 120.40 2oq3 h GLU 129 Ca 0.13 -0.32 -0.03 0.00 -1.00 0.00 0.00 59.36 58.14 2oq3 h GLU 129 Cb 0.02 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.26 2oq3 h GLU 129 CO -0.02 0.91 0.02 1.96 -1.00 0.00 0.00 179.01 180.88 2oq3 h GLN 130 N 0.36 0.40 0.20 2.33 4.20 -0.16 -0.43 115.11 122.00 2oq3 h GLN 130 Ca 0.05 -0.07 -0.28 0.00 0.06 0.00 0.00 58.65 58.41 2oq3 h GLN 130 Cb 0.77 -0.07 0.03 0.00 0.30 0.00 0.00 27.48 28.51 2oq3 h GLN 130 CO 0.06 0.42 -1.27 1.37 -0.67 0.00 0.00 178.83 178.74 2oq3 h LEU 131 N 0.39 0.65 -2.31 1.46 8.10 -0.97 -2.66 115.31 119.97 2oq3 h LEU 131 Ca 0.09 -0.93 -0.00 0.00 0.11 0.00 0.00 57.88 57.15 2oq3 h LEU 131 Cb 0.24 -0.21 -0.00 0.00 -0.44 0.00 0.00 40.66 40.24 2oq3 h LEU 131 CO 0.00 1.60 -0.01 -0.07 -4.11 0.00 0.00 178.44 175.86 2oq3 h LEU 132 N -0.09 0.00 -3.15 0.17 3.38 -0.73 -1.70 115.31 113.18 2oq3 h LEU 132 Ca -0.23 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.74 2oq3 h LEU 132 Cb 1.94 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.69 2oq3 h LEU 132 CO 0.20 0.01 0.00 0.35 0.09 0.00 0.00 178.44 179.09 2oq3 n THR 133 N -3.11 1.88 -1.83 0.22 -2.24 -0.20 -4.99 114.28 104.00 2oq3 n THR 133 Ca -0.01 -1.50 -0.39 0.00 -2.27 0.00 0.00 64.05 59.88 2oq3 n THR 133 Cb 0.18 0.02 -0.03 0.00 -2.10 0.00 0.00 70.33 68.39 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 -2.15 2.16 -0.29 6.98 0.00 -0.64 -4.83 121.76 122.98 2oq3 s ALA 134 Ca 0.39 -0.14 0.28 0.00 0.00 0.00 0.00 51.96 52.48 2oq3 s ALA 134 Cb 0.28 -4.25 1.07 0.00 0.00 0.00 0.00 23.12 20.22 2oq3 s ALA 134 CO 0.14 -3.78 1.81 0.77 0.00 0.00 0.00 175.76 174.70 2oq3 h SER 135 N 16.18 0.00 -5.10 0.00 0.02 -1.90 -3.47 113.55 119.28 2oq3 h SER 135 Ca -0.28 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 60.63 2oq3 h SER 135 Cb 1.21 0.00 -0.12 0.00 0.14 0.00 0.00 62.40 63.63 2oq3 h SER 135 CO 1.14 0.00 -0.06 -0.94 -1.14 0.00 0.00 176.83 175.83 2oq3 s SER 136 N -4.94 -0.21 0.34 3.07 1.04 -1.26 -5.02 113.70 106.71 2oq3 s SER 136 Ca 0.04 -0.44 0.04 0.00 0.48 0.00 0.00 55.95 56.06 2oq3 s SER 136 Cb 0.09 0.51 0.65 0.00 0.10 0.00 0.00 66.02 67.37 2oq3 s SER 136 CO 0.49 -0.94 1.94 -0.08 0.98 0.00 0.00 173.24 175.63 2oq3 h GLU 137 N 2.32 0.85 -0.62 4.02 4.81 -1.93 -2.31 114.58 121.71 2oq3 h GLU 137 Ca -0.32 -0.05 0.03 0.00 -0.13 0.00 0.00 59.36 58.89 2oq3 h GLU 137 Cb 1.26 -0.19 -0.04 0.00 0.63 0.00 0.00 28.75 30.40 2oq3 h GLU 137 CO 0.43 0.56 0.38 -0.22 -0.73 0.00 0.00 179.01 179.43 2oq3 h LYS 138 N 0.87 0.71 -0.82 1.92 1.63 -1.97 -1.18 116.57 117.74 2oq3 h LYS 138 Ca 0.34 -0.04 0.01 0.00 -0.85 0.00 0.00 60.65 60.11 2oq3 h LYS 138 Cb 0.22 -0.16 -0.04 0.00 -0.60 0.00 0.00 32.23 31.65 2oq3 h LYS 138 CO -0.12 0.47 0.54 0.37 -3.45 0.00 0.00 179.45 177.26 2oq3 h GLN 139 N 0.74 1.08 -0.20 1.90 4.15 -1.82 0.20 115.11 121.16 2oq3 h GLN 139 Ca 0.25 -0.07 -0.09 0.00 0.77 0.00 0.00 58.65 59.52 2oq3 h GLN 139 Cb 0.04 -0.24 -0.00 0.00 0.21 0.00 0.00 27.48 27.49 2oq3 h GLN 139 CO -0.11 0.72 -0.21 -0.07 -1.93 0.00 0.00 178.83 177.22 2oq3 h LEU 140 N 1.11 0.53 -1.69 -2.39 3.38 -1.26 -2.78 115.31 112.21 2oq3 h LEU 140 Ca 0.30 -0.48 -0.04 0.00 0.09 0.00 0.00 57.88 57.75 2oq3 h LEU 140 Cb -0.13 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.47 2oq3 h LEU 140 CO -0.06 0.90 -0.18 0.00 0.09 0.00 0.00 178.44 179.19 2oq3 h ALA 141 N 0.64 1.36 -0.36 1.53 0.00 -0.86 -2.25 119.26 119.31 2oq3 h ALA 141 Ca 0.03 -0.17 -0.08 0.00 0.00 0.00 0.00 54.91 54.69 2oq3 h ALA 141 Cb 0.76 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 2oq3 h ALA 141 CO 0.05 0.23 -0.13 0.22 0.00 0.00 0.00 179.25 179.62 2oq3 h ASP 142 N 0.00 0.62 -0.73 0.00 3.58 -0.45 -0.47 116.42 118.98 2oq3 h ASP 142 Ca -0.00 -0.18 -0.05 0.00 0.42 0.00 0.00 57.03 57.22 2oq3 h ASP 142 Cb 0.42 -0.17 -0.03 0.00 1.72 0.00 0.00 39.33 41.27 2oq3 h ASP 142 CO 0.02 0.77 0.27 0.40 -2.88 0.00 0.00 179.24 177.83 2oq3 h ILE 143 N 0.58 1.25 0.05 2.25 2.04 -1.14 -1.57 117.51 120.98 2oq3 h ILE 143 Ca 0.10 -0.84 0.01 0.00 1.00 0.00 0.00 64.86 65.13 2oq3 h ILE 143 Cb 0.55 0.40 -0.01 0.00 -0.74 0.00 0.00 36.82 37.02 2oq3 h ILE 143 CO 0.03 0.33 -0.09 0.40 0.00 0.00 0.00 178.15 178.82 2oq3 h ILE 144 N 1.08 0.77 0.00 -0.67 1.08 -1.15 -3.06 117.51 115.57 2oq3 h ILE 144 Ca 0.24 0.00 -0.03 0.00 -0.39 0.00 0.00 64.86 64.69 2oq3 h ILE 144 Cb 0.25 0.77 -0.00 0.00 -3.07 0.00 0.00 36.82 34.77 2oq3 h ILE 144 CO -0.02 0.00 -0.13 0.28 -0.69 0.00 0.00 178.15 177.60 2oq3 h SER 145 N -0.19 0.00 0.01 1.72 0.02 -0.57 -1.18 113.55 113.36 2oq3 h SER 145 Ca 0.02 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.97 2oq3 h SER 145 Cb 0.21 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.75 2oq3 h SER 145 CO -0.06 0.13 -0.00 -0.09 -1.14 0.00 0.00 176.83 175.66 2oq3 h ARG 146 N 0.00 0.00 0.00 3.45 2.43 -1.19 -3.48 114.38 115.59 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 0.38 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.93 2oq3 h ARG 146 CO 0.02 0.00 0.00 0.41 -1.51 0.00 0.00 179.97 178.89