#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jqg s GLU 30 N 0.00 3.07 0.46 0.03 2.56 -1.26 0.97 118.70 124.53 2jqg s GLU 30 Ca 0.00 -0.80 0.02 0.00 0.00 0.00 0.00 54.97 54.19 2jqg s GLU 30 Cb 0.00 -2.72 0.01 0.00 2.00 0.00 0.00 34.13 33.41 2jqg s GLU 30 CO 0.00 -0.23 0.67 -0.51 -0.56 0.00 0.00 175.26 174.63 2jqg s LEU 31 N 1.34 3.57 -0.01 2.70 2.01 0.14 -4.93 118.68 123.50 2jqg s LEU 31 Ca 0.05 0.06 0.05 0.00 0.01 0.00 0.00 54.13 54.30 2jqg s LEU 31 Cb -0.14 -2.97 -0.01 0.00 0.01 0.00 0.00 46.19 43.08 2jqg s LEU 31 CO -0.10 -0.81 -0.18 0.42 1.01 0.00 0.00 176.35 176.70 2jqg s THR 32 N -2.55 1.39 0.00 5.49 -4.23 -0.71 -3.10 115.64 111.93 2jqg s THR 32 Ca 0.51 -0.77 0.00 0.00 -1.18 0.00 0.00 61.69 60.25 2jqg s THR 32 Cb -0.10 -1.16 0.00 0.00 1.34 0.00 0.00 72.50 72.58 2jqg s THR 32 CO 0.37 0.38 0.00 0.00 -0.54 0.00 0.00 174.62 174.83 2jqg n LEU 33 N 2.61 0.00 0.00 4.79 -0.00 -1.01 -0.83 117.00 122.56 2jqg n LEU 33 Ca -0.15 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.86 2jqg n LEU 33 Cb 0.54 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.96 2jqg n LEU 33 CO 0.24 0.00 0.00 -1.22 -0.00 0.00 0.00 177.39 176.41 2jqg n TYR 34 N -0.22 0.00 -3.14 1.47 4.01 -1.26 0.33 117.16 118.35 2jqg n TYR 34 Ca 0.00 0.00 -0.23 0.00 -0.16 0.00 0.00 57.90 57.51 2jqg n TYR 34 Cb 0.00 -0.49 -0.04 0.00 -0.31 0.00 0.00 39.34 38.50 2jqg n TYR 34 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 2jqg n ASN 35 N -3.92 2.16 0.00 7.72 5.03 -0.14 -4.85 115.26 121.26 2jqg n ASN 35 Ca 0.00 -3.22 0.00 0.00 0.87 0.00 0.00 54.58 52.23 2jqg n ASN 35 Cb 0.00 -0.61 0.00 0.00 -1.02 0.00 0.00 39.78 38.15 2jqg n ASN 35 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2jqg n GLY 36 N 0.33 0.00 0.00 7.41 0.00 0.15 -4.37 105.19 108.71 2jqg n GLY 36 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.29 2jqg n GLY 36 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2jqg n GLU 37 N 0.00 0.00 -1.92 1.61 -0.58 -1.06 -1.74 120.64 116.94 2jqg n GLU 37 Ca 0.00 0.00 -0.27 0.00 -0.42 0.00 0.00 57.16 56.47 2jqg n GLU 37 Cb 0.00 0.00 -0.05 0.00 -0.57 0.00 0.00 31.44 30.82 2jqg n GLU 37 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 2jqg s LYS 38 N 0.00 2.36 -0.15 3.49 1.02 -1.26 -2.75 119.74 122.44 2jqg s LYS 38 Ca 0.00 0.15 0.00 0.00 0.02 0.00 0.00 55.97 56.15 2jqg s LYS 38 Cb 0.00 -4.84 0.02 0.00 -0.52 0.00 0.00 37.83 32.49 2jqg s LYS 38 CO 0.00 -3.44 -0.15 0.15 -0.92 0.00 0.00 175.35 170.99 2jqg s LYS 39 N 7.45 2.41 -0.35 1.68 -0.14 -1.15 -4.98 119.74 124.66 2jqg s LYS 39 Ca 0.76 -0.61 -0.20 0.00 -1.36 0.00 0.00 55.97 54.56 2jqg s LYS 39 Cb -0.10 -2.19 -0.00 0.00 -1.68 0.00 0.00 37.83 33.86 2jqg s LYS 39 CO 0.07 -0.24 0.61 0.99 -0.76 0.00 0.00 175.35 176.02 2jqg s THR 40 N 1.45 4.92 0.32 2.17 2.01 -1.26 0.27 115.64 125.52 2jqg s THR 40 Ca 0.05 0.58 0.04 0.00 0.31 0.00 0.00 61.69 62.67 2jqg s THR 40 Cb -0.13 -4.05 -0.02 0.00 0.01 0.00 0.00 72.50 68.32 2jqg s THR 40 CO -0.11 -0.27 0.47 -0.36 -0.69 0.00 0.00 174.62 173.66 2jqg s PHE 41 N 2.64 3.28 0.30 4.92 0.40 0.27 -4.95 117.98 124.84 2jqg s PHE 41 Ca 0.23 -0.03 0.00 0.00 -0.60 0.00 0.00 56.93 56.54 2jqg s PHE 41 Cb -0.15 -1.89 -0.04 0.00 0.51 0.00 0.00 43.02 41.46 2jqg s PHE 41 CO 0.14 0.10 0.50 0.71 0.70 0.00 0.00 175.22 177.37 2jqg s TYR 42 N -2.18 3.49 -0.49 0.36 2.02 -1.26 -3.35 117.35 115.94 2jqg s TYR 42 Ca 0.41 0.32 -0.00 0.00 -0.37 0.00 0.00 57.07 57.43 2jqg s TYR 42 Cb -0.09 -1.86 0.13 0.00 -0.40 0.00 0.00 41.96 39.73 2jqg s TYR 42 CO 0.32 0.22 0.26 -1.12 -1.57 0.00 0.00 175.55 173.66 2jqg s SER 43 N -3.80 4.97 -0.29 2.29 0.01 -1.16 -3.96 113.70 111.74 2jqg s SER 43 Ca 0.39 -2.52 -0.15 0.00 1.31 0.00 0.00 55.95 54.98 2jqg s SER 43 Cb -0.10 -1.76 0.15 0.00 0.21 0.00 0.00 66.02 64.52 2jqg s SER 43 CO 0.33 -0.39 0.92 -0.60 0.41 0.00 0.00 173.24 173.90 2jqg s ARG 44 N 0.41 0.39 0.04 12.44 3.52 -1.11 -4.94 118.95 129.72 2jqg s ARG 44 Ca 0.13 0.84 -0.31 0.00 -0.13 0.00 0.00 55.73 56.27 2jqg s ARG 44 Cb -0.22 0.35 -0.07 0.00 -1.56 0.00 0.00 34.95 33.46 2jqg s ARG 44 CO -0.04 -0.11 1.45 -1.25 -0.81 0.00 0.00 175.30 174.54 2jqg s PRO 45 N 2.07 4.28 0.33 5.12 0.04 -1.25 -4.34 135.00 141.26 2jqg s PRO 45 Ca -0.06 2.06 -0.10 0.00 0.04 0.00 0.00 61.00 62.94 2jqg s PRO 45 Cb -0.06 -3.50 -0.07 0.00 0.04 0.00 0.00 34.50 30.92 2jqg s PRO 45 CO -0.17 -0.57 0.68 -0.80 0.04 0.00 0.00 177.00 176.18 2jqg s ASN 46 N 1.78 6.57 -0.64 6.66 0.01 -1.26 -5.04 114.94 123.03 2jqg s ASN 46 Ca 0.66 1.04 0.05 0.00 -0.71 0.00 0.00 52.86 53.90 2jqg s ASN 46 Cb -0.34 -2.28 0.17 0.00 0.41 0.00 0.00 41.25 39.21 2jqg s ASN 46 CO 0.28 -0.26 0.46 0.54 -1.51 0.00 0.00 177.10 176.61 2jqg s ASN 47 N -2.84 4.09 0.00 -1.22 4.22 -1.26 -4.66 114.94 113.26 2jqg s ASN 47 Ca 0.50 -3.68 0.00 0.00 -2.14 0.00 0.00 52.86 47.54 2jqg s ASN 47 Cb -0.10 -1.37 0.00 0.00 1.28 0.00 0.00 41.25 41.05 2jqg s ASN 47 CO 0.26 -0.10 0.00 0.00 -2.04 0.00 0.00 177.10 175.22 2jqg n HIS 48 N 2.17 0.00 0.00 1.54 1.44 -1.26 -5.10 115.22 114.01 2jqg n HIS 48 Ca 0.22 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.93 2jqg n HIS 48 Cb 0.38 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.49 2jqg n HIS 48 CO 0.00 0.00 0.00 -0.40 -2.81 0.00 0.00 176.34 173.13 2jqg n ASP 49 N 0.00 0.00 0.00 4.39 5.68 -1.26 -4.80 116.55 120.56 2jqg n ASP 49 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.29 2jqg n ASP 49 Cb 0.00 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 39.98 2jqg n ASP 49 CO 0.00 0.00 0.00 -0.46 -1.33 0.00 0.00 177.20 175.41 2jqg n ASN 50 N 0.00 0.00 -0.14 -1.12 0.23 -1.26 -3.99 115.26 108.98 2jqg n ASN 50 Ca 0.00 0.00 -0.10 0.00 -0.53 0.00 0.00 54.58 53.95 2jqg n ASN 50 Cb 0.00 0.00 -0.01 0.00 -2.08 0.00 0.00 39.78 37.69 2jqg n ASN 50 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2jqg h ALA 51 N 0.00 0.53 -0.70 -2.53 0.00 -1.96 0.16 119.26 114.77 2jqg h ALA 51 Ca 0.00 -0.21 0.05 0.00 0.00 0.00 0.00 54.91 54.76 2jqg h ALA 51 Cb 0.00 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.60 2jqg h ALA 51 CO 0.00 0.23 0.46 -1.49 0.00 0.00 0.00 179.25 178.45 2jqg h TRP 52 N 0.51 0.76 -0.22 0.00 4.06 -1.90 0.26 115.95 119.41 2jqg h TRP 52 Ca 0.12 0.02 -0.08 0.00 2.06 0.00 0.00 58.89 61.01 2jqg h TRP 52 Cb 0.35 -0.25 -0.00 0.00 -1.00 0.00 0.00 29.16 28.25 2jqg h TRP 52 CO 0.02 0.41 -0.18 -0.07 -3.56 0.00 0.00 178.44 175.07 2jqg h LEU 53 N 0.76 0.54 -1.77 -4.49 3.38 -1.83 -2.15 115.31 109.75 2jqg h LEU 53 Ca 0.29 -0.46 0.46 0.00 0.09 0.00 0.00 57.88 58.26 2jqg h LEU 53 Cb 0.19 -0.15 -0.09 0.00 0.09 0.00 0.00 40.66 40.71 2jqg h LEU 53 CO -0.09 0.88 1.06 -1.13 0.09 0.00 0.00 178.44 179.25 2jqg h ASN 54 N 0.20 0.10 0.15 -0.43 -1.24 0.25 3.22 115.58 117.83 2jqg h ASN 54 Ca 0.04 0.05 -0.01 0.00 0.71 0.00 0.00 56.30 57.09 2jqg h ASN 54 Cb 0.72 0.04 0.00 0.00 0.73 0.00 0.00 38.32 39.81 2jqg h ASN 54 CO 0.05 -0.05 -0.07 0.00 -1.29 0.00 0.00 177.43 176.06 2jqg h ALA 55 N 1.33 -0.81 0.17 1.57 0.00 -0.55 -2.66 119.26 118.31 2jqg h ALA 55 Ca 0.79 -0.05 -0.31 0.00 0.00 0.00 0.00 54.91 55.35 2jqg h ALA 55 Cb 2.89 0.08 0.01 0.00 0.00 0.00 0.00 17.79 20.77 2jqg h ALA 55 CO -0.16 -0.79 -1.50 -0.84 0.00 0.00 0.00 179.25 175.96 2jqg h ILE 56 N -0.26 1.08 -0.14 0.00 -2.65 -1.07 -2.54 117.51 111.94 2jqg h ILE 56 Ca -0.02 -2.51 0.03 0.00 1.03 0.00 0.00 64.86 63.39 2jqg h ILE 56 Cb 0.16 2.84 -0.05 0.00 -2.05 0.00 0.00 36.82 37.72 2jqg h ILE 56 CO 0.03 0.79 -0.45 0.25 0.03 0.00 0.00 178.15 178.80 2jqg h LEU 57 N -0.08 -1.42 -1.10 0.16 7.12 0.57 1.11 115.31 121.66 2jqg h LEU 57 Ca -0.30 0.17 -0.08 0.00 0.13 0.00 0.00 57.88 57.80 2jqg h LEU 57 Cb 1.95 0.56 -0.01 0.00 -0.53 0.00 0.00 40.66 42.63 2jqg h LEU 57 CO 0.15 -0.39 -0.39 1.56 -0.13 0.00 0.00 178.44 179.24 2jqg h GLN 58 N -0.46 0.00 -0.92 1.25 4.20 -1.34 -0.74 115.11 117.10 2jqg h GLN 58 Ca 0.03 0.00 0.10 0.00 0.06 0.00 0.00 58.65 58.84 2jqg h GLN 58 Cb 0.55 0.00 -0.07 0.00 0.30 0.00 0.00 27.48 28.26 2jqg h GLN 58 CO -0.37 0.39 0.59 1.25 -0.67 0.00 0.00 178.83 180.02 2jqg h LEU 59 N 0.00 0.84 -0.90 1.46 5.85 -0.44 0.20 115.31 122.33 2jqg h LEU 59 Ca -0.00 0.02 0.04 0.00 0.84 0.00 0.00 57.88 58.78 2jqg h LEU 59 Cb 0.80 -0.15 -0.06 0.00 0.37 0.00 0.00 40.66 41.63 2jqg h LEU 59 CO 0.05 0.49 0.58 -0.26 -0.34 0.00 0.00 178.44 178.96 2jqg h PHE 60 N 0.93 1.08 -0.60 1.25 0.04 0.27 -2.88 116.94 117.04 2jqg h PHE 60 Ca 0.43 0.03 -0.07 0.00 2.80 0.00 0.00 57.97 61.15 2jqg h PHE 60 Cb 0.40 -0.36 -0.02 0.00 2.20 0.00 0.00 35.95 38.16 2jqg h PHE 60 CO -0.00 0.61 0.09 0.00 -0.60 0.00 0.00 178.31 178.41 2jqg h ARG 61 N 1.11 0.97 0.17 1.51 2.47 -0.56 -1.43 114.38 118.63 2jqg h ARG 61 Ca 0.36 -0.25 -0.28 0.00 -1.26 0.00 0.00 59.98 58.56 2jqg h ARG 61 Cb 0.04 -0.12 0.02 0.00 -1.65 0.00 0.00 29.97 28.25 2jqg h ARG 61 CO -0.13 0.90 -1.32 0.10 0.56 0.00 0.00 179.97 180.08 2jqg h TYR 62 N 0.91 0.66 0.00 3.04 -0.00 -1.35 -3.34 116.97 116.89 2jqg h TYR 62 Ca 0.18 -0.48 0.00 0.00 -0.00 0.00 0.00 58.73 58.44 2jqg h TYR 62 Cb 0.41 -0.03 0.00 0.00 -0.00 0.00 0.00 36.73 37.12 2jqg h TYR 62 CO 0.03 1.51 0.00 0.28 -0.00 0.00 0.00 178.16 179.98 2jqg n VAL 63 N -3.87 0.74 -0.11 -0.90 0.31 -1.12 -3.90 118.33 109.49 2jqg n VAL 63 Ca -0.20 0.03 0.00 0.00 -0.01 0.00 0.00 64.34 64.16 2jqg n VAL 63 Cb 0.96 -0.95 0.00 0.00 -0.91 0.00 0.00 33.84 32.94 2jqg n VAL 63 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 2jqg n GLU 64 N -2.30 0.00 -3.65 5.55 2.13 -1.17 -5.08 120.64 116.13 2jqg n GLU 64 Ca 0.03 0.00 -0.29 0.00 0.66 0.00 0.00 57.16 57.56 2jqg n GLU 64 Cb 0.31 -0.19 -0.13 0.00 0.27 0.00 0.00 31.44 31.70 2jqg n GLU 64 CO 0.00 0.00 0.00 -2.00 -0.41 0.00 0.00 177.13 174.72 2jqg s GLU 65 N -1.09 1.09 -1.18 5.31 2.56 -0.55 -5.04 118.70 119.80 2jqg s GLU 65 Ca 0.00 -1.81 -0.20 0.00 0.00 0.00 0.00 54.97 52.95 2jqg s GLU 65 Cb 0.00 -2.07 0.04 0.00 2.00 0.00 0.00 34.13 34.10 2jqg s GLU 65 CO 0.00 -1.17 1.69 -1.25 -0.56 0.00 0.00 175.26 173.97 2jqg s PRO 66 N 0.57 3.60 0.33 4.30 0.04 -1.24 -4.26 135.00 138.33 2jqg s PRO 66 Ca 0.18 -1.54 0.23 0.00 0.04 0.00 0.00 61.00 59.91 2jqg s PRO 66 Cb -0.24 -5.42 0.29 0.00 0.04 0.00 0.00 34.50 29.17 2jqg s PRO 66 CO 0.00 -2.53 1.45 0.35 0.04 0.00 0.00 177.00 176.31 2jqg h PHE 67 N 8.71 0.00 0.00 0.56 3.57 -1.87 -3.27 116.94 124.64 2jqg h PHE 67 Ca 0.33 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.83 2jqg h PHE 67 Cb 0.93 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.67 2jqg h PHE 67 CO 1.35 0.00 0.00 1.97 -2.23 0.00 0.00 178.31 179.40 2jqg n PHE 68 N -2.83 0.00 -0.34 0.41 -1.74 -1.26 -4.03 117.46 107.67 2jqg n PHE 68 Ca 0.03 0.00 0.22 0.00 -0.56 0.00 0.00 57.45 57.14 2jqg n PHE 68 Cb 0.52 -0.00 0.45 0.00 1.52 0.00 0.00 39.48 41.97 2jqg n PHE 68 CO 0.00 0.00 0.00 -0.44 -0.56 0.00 0.00 176.76 175.76 2jqg h ASP 69 N 0.12 0.57 -0.15 5.98 3.32 -1.96 0.37 116.42 124.67 2jqg h ASP 69 Ca 0.00 0.15 -0.15 0.00 0.02 0.00 0.00 57.03 57.06 2jqg h ASP 69 Cb 0.01 0.07 -0.01 0.00 0.22 0.00 0.00 39.33 39.62 2jqg h ASP 69 CO 0.00 -0.00 -0.42 -0.50 -1.72 0.00 0.00 179.24 176.60 2jqg h TRP 70 N 0.44 0.83 0.00 4.55 -0.00 -1.88 0.50 115.95 120.38 2jqg h TRP 70 Ca 0.68 -0.25 0.00 0.00 -0.00 0.00 0.00 58.89 59.32 2jqg h TRP 70 Cb 1.50 -0.17 0.00 0.00 -0.00 0.00 0.00 29.16 30.49 2jqg h TRP 70 CO -0.01 0.99 0.00 0.28 -0.00 0.00 0.00 178.44 179.70 2jqg n VAL 71 N -4.03 0.00 0.04 1.49 0.31 0.12 -0.41 118.33 115.85 2jqg n VAL 71 Ca -0.02 0.68 -0.17 0.00 -0.01 0.00 0.00 64.34 64.83 2jqg n VAL 71 Cb 0.54 -1.38 -0.14 0.00 -0.91 0.00 0.00 33.84 31.95 2jqg n VAL 71 CO 0.00 0.00 0.00 1.88 -1.32 0.00 0.00 176.83 177.39 2jqg h TYR 72 N 0.00 0.40 0.00 3.52 0.05 -1.51 -3.28 116.97 116.14 2jqg h TYR 72 Ca 0.00 -0.29 0.00 0.00 0.05 0.00 0.00 58.73 58.49 2jqg h TYR 72 Cb 0.00 -0.02 0.00 0.00 1.01 0.00 0.00 36.73 37.72 2jqg h TYR 72 CO 0.04 1.42 0.00 1.03 -1.05 0.00 0.00 178.16 179.61 2jqg h SER 73 N 0.06 0.00 -3.53 3.88 0.87 -1.39 -3.39 113.55 110.04 2jqg h SER 73 Ca -0.29 0.00 -0.67 0.00 -1.23 0.00 0.00 61.79 59.59 2jqg h SER 73 Cb 2.02 0.00 -0.34 0.00 -0.44 0.00 0.00 62.40 63.64 2jqg h SER 73 CO 0.13 0.00 -0.78 -0.44 -0.53 0.00 0.00 176.83 175.21 2jqg s SER 74 N -5.00 4.15 0.10 6.23 0.01 0.17 -4.91 113.70 114.44 2jqg s SER 74 Ca 0.03 -1.00 0.14 0.00 1.31 0.00 0.00 55.95 56.43 2jqg s SER 74 Cb 0.09 -1.60 0.62 0.00 0.21 0.00 0.00 66.02 65.34 2jqg s SER 74 CO 0.48 -0.13 1.43 -0.81 0.41 0.00 0.00 173.24 174.63 2jqg n PRO 75 N 4.59 0.06 -0.03 12.44 -0.04 -1.26 -3.09 135.00 147.67 2jqg n PRO 75 Ca -0.16 0.40 -0.04 0.00 -0.04 0.00 0.00 63.50 63.66 2jqg n PRO 75 Cb 0.46 -1.64 -0.01 0.00 -0.04 0.00 0.00 33.50 32.27 2jqg n PRO 75 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 2jqg n GLU 76 N -1.76 0.22 -0.31 0.54 2.13 -1.26 -4.67 120.64 115.54 2jqg n GLU 76 Ca 0.02 0.09 0.15 0.00 0.66 0.00 0.00 57.16 58.07 2jqg n GLU 76 Cb 0.13 -0.84 0.32 0.00 0.27 0.00 0.00 31.44 31.32 2jqg n GLU 76 CO 0.00 0.00 0.00 -0.91 -0.41 0.00 0.00 177.13 175.81 2jqg h ASN 77 N -0.42 -0.00 0.00 4.31 4.21 -1.68 -3.46 115.58 118.54 2jqg h ASN 77 Ca 0.00 0.21 0.00 0.00 1.21 0.00 0.00 56.30 57.72 2jqg h ASN 77 Cb 0.42 0.28 0.00 0.00 -1.12 0.00 0.00 38.32 37.90 2jqg h ASN 77 CO 0.00 -0.19 0.00 0.18 -1.29 0.00 0.00 177.43 176.13 2jqg n LEU 78 N -5.25 0.00 0.26 1.61 4.32 0.45 -1.84 117.00 116.55 2jqg n LEU 78 Ca 0.23 0.00 -0.12 0.00 -0.02 0.00 0.00 56.01 56.10 2jqg n LEU 78 Cb 0.75 0.00 -0.06 0.00 -1.62 0.00 0.00 43.42 42.49 2jqg n LEU 78 CO 0.05 -0.12 0.33 0.00 -1.22 0.00 0.00 177.39 176.43 2jqg h THR 79 N 0.00 0.10 -0.38 -5.08 1.03 -1.83 -2.36 112.91 104.40 2jqg h THR 79 Ca 0.00 -0.48 0.08 0.00 -0.01 0.00 0.00 66.41 66.00 2jqg h THR 79 Cb 0.00 0.16 -0.08 0.00 -1.07 0.00 0.00 68.15 67.15 2jqg h THR 79 CO 0.00 0.02 -0.22 0.17 -0.01 0.00 0.00 175.52 175.48 2jqg h LEU 80 N -1.15 -0.73 -1.13 0.00 -0.00 -1.69 -0.08 115.31 110.53 2jqg h LEU 80 Ca -0.07 0.16 -0.08 0.00 -0.00 0.00 0.00 57.88 57.88 2jqg h LEU 80 Cb 0.58 0.38 -0.01 0.00 -0.00 0.00 0.00 40.66 41.61 2jqg h LEU 80 CO 0.12 -0.25 -0.39 -0.33 -0.00 0.00 0.00 178.44 177.60 2jqg h GLU 81 N -0.16 0.00 0.30 0.17 5.08 -1.50 -1.60 114.58 116.88 2jqg h GLU 81 Ca 0.19 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.54 2jqg h GLU 81 Cb 0.44 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 2jqg h GLU 81 CO -0.47 0.39 -0.19 0.00 -1.00 0.00 0.00 179.01 177.73 2jqg h ALA 82 N 1.61 -0.47 0.06 3.43 0.00 -0.48 -2.60 119.26 120.82 2jqg h ALA 82 Ca -0.00 -0.09 -0.30 0.00 0.00 0.00 0.00 54.91 54.52 2jqg h ALA 82 Cb 0.78 0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.79 2jqg h ALA 82 CO 0.05 -0.77 -1.58 0.82 0.00 0.00 0.00 179.25 177.77 2jqg h ILE 83 N -0.48 1.06 -1.01 0.00 5.03 -1.40 -3.20 117.51 117.51 2jqg h ILE 83 Ca -0.03 -2.79 0.25 0.00 -0.12 0.00 0.00 64.86 62.17 2jqg h ILE 83 Cb 0.40 2.63 -0.09 0.00 -3.03 0.00 0.00 36.82 36.73 2jqg h ILE 83 CO 0.03 0.74 0.65 0.50 -0.68 0.00 0.00 178.15 179.39 2jqg h LYS 84 N 0.04 0.41 -0.57 2.37 3.64 -1.33 2.61 116.57 123.74 2jqg h LYS 84 Ca -0.25 -0.02 -0.08 0.00 -1.27 0.00 0.00 60.65 59.02 2jqg h LYS 84 Cb 1.98 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 33.69 2jqg h LYS 84 CO 0.12 0.27 0.03 0.37 -2.27 0.00 0.00 179.45 177.98 2jqg h GLN 85 N 0.43 0.99 -0.24 1.90 5.75 -1.50 -2.19 115.11 120.24 2jqg h GLN 85 Ca 0.57 -0.30 -0.09 0.00 -0.15 0.00 0.00 58.65 58.68 2jqg h GLN 85 Cb 1.39 -0.10 -0.01 0.00 1.07 0.00 0.00 27.48 29.83 2jqg h GLN 85 CO -0.28 0.97 -0.24 -0.07 -2.65 0.00 0.00 178.83 176.57 2jqg h LEU 86 N 0.88 0.45 -0.88 -2.39 3.38 0.39 -2.20 115.31 114.93 2jqg h LEU 86 Ca 0.17 -0.15 0.16 0.00 0.09 0.00 0.00 57.88 58.15 2jqg h LEU 86 Cb 0.51 -0.12 -0.10 0.00 0.09 0.00 0.00 40.66 41.03 2jqg h LEU 86 CO 0.02 0.69 0.47 -0.08 0.09 0.00 0.00 178.44 179.63 2jqg h GLU 87 N 0.40 0.61 -0.46 1.13 4.81 0.23 3.31 114.58 124.61 2jqg h GLU 87 Ca 0.06 -0.04 -0.05 0.00 -0.13 0.00 0.00 59.36 59.20 2jqg h GLU 87 Cb 0.64 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.86 2jqg h GLU 87 CO 0.05 0.41 0.08 -0.44 -0.73 0.00 0.00 179.01 178.37 2jqg h ASP 88 N 0.63 0.67 0.00 1.04 3.32 -1.23 0.28 116.42 121.13 2jqg h ASP 88 Ca 0.49 -0.12 -0.34 0.00 0.02 0.00 0.00 57.03 57.09 2jqg h ASP 88 Cb 0.74 -0.17 -0.05 0.00 0.22 0.00 0.00 39.33 40.06 2jqg h ASP 88 CO -0.38 0.68 -2.08 -0.11 -1.72 0.00 0.00 179.24 175.63 2jqg n LEU 89 N -4.28 1.94 0.22 1.55 0.00 0.22 -4.37 117.00 112.28 2jqg n LEU 89 Ca 0.03 0.35 0.09 0.00 0.00 0.00 0.00 56.01 56.48 2jqg n LEU 89 Cb 0.23 -0.81 0.46 0.00 0.00 0.00 0.00 43.42 43.30 2jqg n LEU 89 CO 0.40 0.35 0.79 0.71 0.00 0.00 0.00 177.39 179.63 2jqg h THR 90 N -1.00 0.66 -1.25 1.96 1.35 0.56 -3.46 112.91 111.72 2jqg h THR 90 Ca -0.51 -1.15 -0.39 0.00 -0.55 0.00 0.00 66.41 63.81 2jqg h THR 90 Cb 1.44 1.75 -0.13 0.00 -1.73 0.00 0.00 68.15 69.48 2jqg h THR 90 CO -0.31 0.25 -0.38 0.61 -0.25 0.00 0.00 175.52 175.44 2jqg n GLY 91 N 0.05 1.42 0.05 5.82 0.00 0.10 -4.84 105.19 107.79 2jqg n GLY 91 Ca -0.00 -0.10 0.11 0.00 0.00 0.00 0.00 46.02 46.03 2jqg n GLY 91 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 2jqg n LEU 92 N -2.28 0.60 -2.86 0.99 -0.00 -1.26 -5.02 117.00 107.18 2jqg n LEU 92 Ca -0.20 0.06 -0.01 0.00 -0.00 0.00 0.00 56.01 55.86 2jqg n LEU 92 Cb 0.64 -0.09 -0.01 0.00 -0.00 0.00 0.00 43.42 43.96 2jqg n LEU 92 CO 0.29 -0.01 -0.47 -0.62 -0.00 0.00 0.00 177.39 176.58 2jqg n GLU 93 N -2.13 -2.66 0.00 1.47 1.02 -1.26 -4.79 120.64 112.29 2jqg n GLU 93 Ca 0.01 2.24 0.00 0.00 -0.02 0.00 0.00 57.16 59.39 2jqg n GLU 93 Cb 0.47 -3.58 0.00 0.00 -0.02 0.00 0.00 31.44 28.31 2jqg n GLU 93 CO 0.00 0.00 0.00 1.47 1.18 0.00 0.00 177.13 179.78 2jqg n LEU 94 N 1.36 0.00 -0.55 -4.62 -0.00 -1.26 -4.11 117.00 107.82 2jqg n LEU 94 Ca -0.10 -0.06 0.44 0.00 -0.00 0.00 0.00 56.01 56.29 2jqg n LEU 94 Cb 0.28 0.00 0.71 0.00 -0.00 0.00 0.00 43.42 44.41 2jqg n LEU 94 CO 0.26 0.10 1.28 0.00 -0.00 0.00 0.00 177.39 179.03 2jqg n HIS 95 N 0.00 0.44 -1.16 1.47 1.44 -1.26 0.20 115.22 116.35 2jqg n HIS 95 Ca 0.00 0.44 0.09 0.00 -2.01 0.00 0.00 57.72 56.24 2jqg n HIS 95 Cb 0.37 -0.89 0.16 0.00 0.12 0.00 0.00 29.99 29.75 2jqg n HIS 95 CO 0.00 0.00 0.00 0.39 -2.81 0.00 0.00 176.34 173.92 2jqg n GLU 96 N -4.37 1.42 0.00 -1.40 1.02 -1.26 -4.65 120.64 111.39 2jqg n GLU 96 Ca 0.41 -2.72 0.00 0.00 -0.02 0.00 0.00 57.16 54.82 2jqg n GLU 96 Cb 1.69 -1.54 0.00 0.00 -0.02 0.00 0.00 31.44 31.57 2jqg n GLU 96 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2jqg n GLY 97 N -1.34 -0.72 1.28 0.62 0.00 0.54 -5.01 105.19 100.57 2jqg n GLY 97 Ca 0.17 0.24 0.15 0.00 0.00 0.00 0.00 46.02 46.58 2jqg n GLY 97 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jqg n GLY 98 N 0.00 -2.33 3.69 -0.02 0.00 -1.26 -4.47 105.19 100.80 2jqg n GLY 98 Ca 0.00 -0.85 -0.42 0.00 0.00 0.00 0.00 46.02 44.75 2jqg n GLY 98 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2jqg s PRO 99 N -3.68 4.41 0.33 1.61 0.04 -1.26 -4.93 135.00 131.52 2jqg s PRO 99 Ca 0.00 1.43 0.04 0.00 0.04 0.00 0.00 61.00 62.51 2jqg s PRO 99 Cb 0.00 -3.55 0.57 0.00 0.04 0.00 0.00 34.50 31.56 2jqg s PRO 99 CO 0.00 -0.34 1.84 -1.00 0.04 0.00 0.00 177.00 177.54 2jqg h PRO 100 N 7.15 0.50 -0.99 0.56 0.13 -1.84 -2.41 132.00 135.10 2jqg h PRO 100 Ca -0.31 -0.12 0.06 0.00 -0.87 0.00 0.00 66.00 64.76 2jqg h PRO 100 Cb 1.15 -0.06 -0.06 0.00 0.13 0.00 0.00 31.00 32.15 2jqg h PRO 100 CO 0.86 0.57 0.64 0.00 -0.23 0.00 0.00 178.00 179.85 2jqg h ALA 101 N 1.47 1.41 -0.50 -0.56 0.00 -1.94 0.13 119.26 119.26 2jqg h ALA 101 Ca 0.10 -0.03 0.11 0.00 0.00 0.00 0.00 54.91 55.09 2jqg h ALA 101 Cb 0.41 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 2jqg h ALA 101 CO 0.02 0.45 0.35 -0.07 0.00 0.00 0.00 179.25 180.00 2jqg h LEU 102 N 1.17 0.17 0.24 0.00 -0.00 -1.84 -1.30 115.31 113.76 2jqg h LEU 102 Ca 0.42 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 58.30 2jqg h LEU 102 Cb 0.14 -0.03 -0.00 0.00 -0.00 0.00 0.00 40.66 40.76 2jqg h LEU 102 CO -0.16 0.10 -0.15 0.58 -0.00 0.00 0.00 178.44 178.82 2jqg h VAL 103 N 0.19 0.69 -0.28 1.22 2.07 -0.80 -2.50 116.25 116.84 2jqg h VAL 103 Ca 0.23 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.68 2jqg h VAL 103 Cb 0.67 0.69 -0.02 0.00 -1.52 0.00 0.00 31.29 31.11 2jqg h VAL 103 CO -0.04 0.00 -0.16 0.16 0.02 0.00 0.00 177.57 177.55 2jqg h ILE 104 N -0.38 1.24 -0.87 4.57 3.07 -1.37 -2.92 117.51 120.86 2jqg h ILE 104 Ca -0.02 -1.09 -0.00 0.00 1.55 0.00 0.00 64.86 65.30 2jqg h ILE 104 Cb 0.31 1.20 -0.04 0.00 -0.27 0.00 0.00 36.82 38.02 2jqg h ILE 104 CO 0.02 0.35 0.53 -0.50 -1.05 0.00 0.00 178.15 177.50 2jqg h TRP 105 N 0.45 1.13 0.11 0.16 4.06 -0.98 -2.71 115.95 118.18 2jqg h TRP 105 Ca 0.08 0.00 -0.28 0.00 2.06 0.00 0.00 58.89 60.75 2jqg h TRP 105 Cb 0.54 -0.37 -0.01 0.00 -1.00 0.00 0.00 29.16 28.32 2jqg h TRP 105 CO 0.02 0.75 -1.36 -0.91 -3.56 0.00 0.00 178.44 173.37 2jqg h ASN 106 N 1.19 0.35 -0.45 -3.49 2.35 -1.32 -3.30 115.58 110.91 2jqg h ASN 106 Ca 0.31 -0.42 -0.10 0.00 -0.55 0.00 0.00 56.30 55.54 2jqg h ASN 106 Cb -0.06 -0.11 -0.06 0.00 0.05 0.00 0.00 38.32 38.14 2jqg h ASN 106 CO -0.06 1.34 0.12 2.30 -1.65 0.00 0.00 177.43 179.48 2jqg n ILE 107 N -3.46 1.96 -0.20 2.81 -5.35 -1.12 -4.76 119.36 109.25 2jqg n ILE 107 Ca -0.11 -0.99 -0.04 0.00 -0.27 0.00 0.00 62.75 61.33 2jqg n ILE 107 Cb 1.02 -0.45 -0.04 0.00 -1.74 0.00 0.00 39.64 38.44 2jqg n ILE 107 CO 0.00 0.00 0.00 1.17 -1.76 0.00 0.00 176.55 175.96 2jqg n LYS 108 N 0.13 -0.19 0.12 6.28 4.81 -1.04 0.31 118.16 128.57 2jqg n LYS 108 Ca 0.24 0.73 0.09 0.00 -0.87 0.00 0.00 58.31 58.49 2jqg n LYS 108 Cb 0.98 -1.07 0.44 0.00 0.02 0.00 0.00 35.03 35.40 2jqg n LYS 108 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 2jqg n HIS 109 N -4.62 0.57 0.44 5.64 8.25 -1.26 -0.70 115.22 123.55 2jqg n HIS 109 Ca 0.02 0.27 0.05 0.00 -0.26 0.00 0.00 57.72 57.80 2jqg n HIS 109 Cb 0.14 -0.94 -0.03 0.00 1.12 0.00 0.00 29.99 30.28 2jqg n HIS 109 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 2jqg n LEU 110 N -2.07 0.81 0.00 2.41 7.99 0.93 -5.00 117.00 122.07 2jqg n LEU 110 Ca 0.00 -0.63 0.00 0.00 -0.01 0.00 0.00 56.01 55.37 2jqg n LEU 110 Cb 0.08 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.39 2jqg n LEU 110 CO 0.11 0.17 0.00 -0.11 -1.51 0.00 0.00 177.39 176.05 2jqg n LEU 111 N -0.76 0.00 0.00 2.23 -0.00 0.57 -4.82 117.00 114.22 2jqg n LEU 111 Ca 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.04 2jqg n LEU 111 Cb 0.18 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.60 2jqg n LEU 111 CO 0.16 0.00 0.00 1.57 -0.00 0.00 0.00 177.39 179.12 2jqg n HIS 112 N 0.00 0.00 -0.13 1.96 -0.00 -1.12 -4.78 115.22 111.15 2jqg n HIS 112 Ca 0.00 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.18 2jqg n HIS 112 Cb 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 29.87 2jqg n HIS 112 CO 0.00 0.00 0.00 -2.37 0.46 0.00 0.00 176.34 174.43 2jqg n THR 113 N 0.00 0.00 -1.96 3.57 5.66 -1.26 -4.74 114.28 115.55 2jqg n THR 113 Ca 0.00 0.00 -0.35 0.00 -3.05 0.00 0.00 64.05 60.65 2jqg n THR 113 Cb 0.00 -1.01 -0.04 0.00 -1.55 0.00 0.00 70.33 67.73 2jqg n THR 113 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 2jqg s GLY 114 N -1.38 0.07 0.03 1.09 0.00 -1.26 -4.93 107.32 100.93 2jqg s GLY 114 Ca 0.00 -0.72 0.05 0.00 0.00 0.00 0.00 44.72 44.05 2jqg s GLY 114 CO 0.00 3.56 -0.11 -0.42 0.00 0.00 0.00 173.10 176.13 2jqg s ILE 115 N 9.92 3.31 0.00 0.90 -1.09 -1.26 0.20 121.20 133.18 2jqg s ILE 115 Ca 0.73 -0.99 0.00 0.00 -2.23 0.00 0.00 60.65 58.16 2jqg s ILE 115 Cb -0.12 -2.44 0.00 0.00 -1.58 0.00 0.00 42.46 38.31 2jqg s ILE 115 CO 0.17 0.33 0.00 0.61 -1.23 0.00 0.00 174.94 174.82 2jqg n GLY 116 N 1.42 5.26 3.29 6.18 0.00 -0.31 -4.82 105.19 116.20 2jqg n GLY 116 Ca -0.15 -1.51 -0.17 0.00 0.00 0.00 0.00 46.02 44.18 2jqg n GLY 116 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2jqg s THR 117 N 2.81 0.15 0.54 2.61 2.01 0.48 -4.06 115.64 120.18 2jqg s THR 117 Ca 0.00 -2.00 0.24 0.00 0.31 0.00 0.00 61.69 60.24 2jqg s THR 117 Cb 0.00 -2.50 0.37 0.00 0.01 0.00 0.00 72.50 70.38 2jqg s THR 117 CO 0.00 0.00 2.03 0.00 -0.69 0.00 0.00 174.62 175.96 2jqg h ALA 118 N 2.30 2.35 0.05 7.40 0.00 -1.79 -0.56 119.26 129.02 2jqg h ALA 118 Ca -0.32 -0.01 -0.30 0.00 0.00 0.00 0.00 54.91 54.28 2jqg h ALA 118 Cb 1.24 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 19.04 2jqg h ALA 118 CO 0.48 -0.52 -1.60 0.77 0.00 0.00 0.00 179.25 178.38 2jqg h SER 119 N 0.00 0.18 -3.84 0.00 0.02 -1.91 -3.45 113.55 104.54 2jqg h SER 119 Ca 0.19 -0.30 -0.64 0.00 -0.84 0.00 0.00 61.79 60.20 2jqg h SER 119 Cb 0.81 -0.06 -0.18 0.00 0.14 0.00 0.00 62.40 63.11 2jqg h SER 119 CO -0.00 1.26 -0.54 -0.13 -1.14 0.00 0.00 176.83 176.28 2jqg s ARG 120 N -2.61 3.87 -0.13 3.45 3.00 -0.22 -5.06 118.95 121.25 2jqg s ARG 120 Ca -0.08 -0.36 -0.28 0.00 0.00 0.00 0.00 55.73 55.01 2jqg s ARG 120 Cb 0.08 -3.60 -0.01 0.00 0.00 0.00 0.00 34.95 31.41 2jqg s ARG 120 CO 0.82 -0.19 0.93 -1.25 0.00 0.00 0.00 175.30 175.62 2jqg s PRO 121 N 1.73 4.38 0.00 3.54 0.04 -1.26 -0.39 135.00 143.05 2jqg s PRO 121 Ca 0.07 1.24 0.00 0.00 0.04 0.00 0.00 61.00 62.35 2jqg s PRO 121 Cb -0.16 -3.55 -0.00 0.00 0.04 0.00 0.00 34.50 30.83 2jqg s PRO 121 CO 0.10 -0.31 0.00 0.45 0.04 0.00 0.00 177.00 177.28 2jqg n SER 122 N 5.06 -0.01 -0.22 6.66 2.88 -1.26 -4.81 113.62 121.92 2jqg n SER 122 Ca 0.07 -1.02 -0.01 0.00 -1.33 0.00 0.00 58.87 56.58 2jqg n SER 122 Cb 0.49 0.01 0.10 0.00 -0.75 0.00 0.00 64.21 64.06 2jqg n SER 122 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 2jqg h GLU 123 N 0.00 0.55 -6.37 -1.46 5.08 0.20 -3.39 114.58 109.19 2jqg h GLU 123 Ca -0.00 -0.03 -0.69 0.00 -1.00 0.00 0.00 59.36 57.63 2jqg h GLU 123 Cb 0.01 -0.12 -0.30 0.00 0.50 0.00 0.00 28.75 28.83 2jqg h GLU 123 CO 0.00 0.36 -0.89 0.14 -1.00 0.00 0.00 179.01 177.63 2jqg s VAL 124 N -6.09 2.03 -0.05 3.13 -7.23 -1.06 -4.37 120.40 106.75 2jqg s VAL 124 Ca -0.13 -1.08 0.05 0.00 -1.81 0.00 0.00 61.98 59.01 2jqg s VAL 124 Cb 0.16 -1.69 -0.01 0.00 0.56 0.00 0.00 36.38 35.40 2jqg s VAL 124 CO 0.75 0.57 -0.21 0.00 -0.31 0.00 0.00 175.10 175.90 2jqg n VAL 126 N 3.06 0.00 -0.02 0.00 0.24 -1.26 0.14 118.33 120.49 2jqg n VAL 126 Ca -0.18 -0.38 -0.03 0.00 -2.04 0.00 0.00 64.34 61.71 2jqg n VAL 126 Cb 0.52 -1.78 -0.02 0.00 -1.47 0.00 0.00 33.84 31.10 2jqg n VAL 126 CO 0.00 0.00 0.00 1.33 -2.14 0.00 0.00 176.83 176.02 2jqg n VAL 127 N -2.66 0.21 -3.87 3.34 0.24 -1.18 -3.14 118.33 111.28 2jqg n VAL 127 Ca 0.06 -0.08 -0.30 0.00 -2.04 0.00 0.00 64.34 61.99 2jqg n VAL 127 Cb 0.22 -0.82 -0.04 0.00 -1.47 0.00 0.00 33.84 31.73 2jqg n VAL 127 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 2jqg n ASP 128 N -2.72 -2.19 -2.46 -1.34 8.00 -1.26 0.14 116.55 114.73 2jqg n ASP 128 Ca -0.07 -0.70 -0.15 0.00 0.71 0.00 0.00 54.79 54.58 2jqg n ASP 128 Cb 0.57 -1.88 0.05 0.00 -0.02 0.00 0.00 41.12 39.83 2jqg n ASP 128 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2jqg n GLY 129 N -1.00 0.00 3.58 0.44 0.00 -1.26 -5.01 105.19 101.94 2jqg n GLY 129 Ca 0.07 -0.09 -0.28 0.00 0.00 0.00 0.00 46.02 45.72 2jqg n GLY 129 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2jqg s THR 130 N -3.20 3.33 0.00 2.61 2.01 0.38 -5.05 115.64 115.72 2jqg s THR 130 Ca 0.37 -1.47 0.00 0.00 0.31 0.00 0.00 61.69 60.90 2jqg s THR 130 Cb -0.16 -2.62 0.00 0.00 0.01 0.00 0.00 72.50 69.73 2jqg s THR 130 CO 0.46 -0.02 0.00 0.47 -0.69 0.00 0.00 174.62 174.84 2jqg n ASP 131 N 0.29 -2.35 -4.34 3.53 8.00 -1.26 -4.91 116.55 115.50 2jqg n ASP 131 Ca -0.12 0.00 -0.28 0.00 0.71 0.00 0.00 54.79 55.11 2jqg n ASP 131 Cb 0.54 0.00 0.16 0.00 -0.02 0.00 0.00 41.12 41.80 2jqg n ASP 131 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 2jqg s MET 132 N 0.00 1.04 0.10 -1.24 -1.94 -1.26 -5.10 119.30 110.90 2jqg s MET 132 Ca 0.00 -0.61 -0.01 0.00 -1.71 0.00 0.00 55.69 53.36 2jqg s MET 132 Cb 0.00 -2.01 0.02 0.00 2.01 0.00 0.00 34.83 34.85 2jqg s MET 132 CO 0.00 -2.06 0.14 0.00 -0.01 0.00 0.00 175.02 173.08 2jqg n LEU 134 N 0.00 0.00 0.00 0.00 7.99 -1.26 0.08 117.00 123.81 2jqg n LEU 134 Ca 0.02 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.02 2jqg n LEU 134 Cb 0.07 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.38 2jqg n LEU 134 CO 0.05 0.00 0.12 0.00 -1.51 0.00 0.00 177.39 176.05 2jqg n ALA 135 N -0.37 1.06 -1.25 -1.18 0.00 -1.26 -3.03 120.51 114.49 2jqg n ALA 135 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2jqg n ALA 135 Cb 0.00 -0.71 0.00 0.00 0.00 0.00 0.00 19.45 18.74 2jqg n ALA 135 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2jqg n ASP 136 N -0.68 0.00 -3.86 0.00 2.03 0.11 -5.03 116.55 109.11 2jqg n ASP 136 Ca 0.00 0.00 -0.13 0.00 0.52 0.00 0.00 54.79 55.18 2jqg n ASP 136 Cb 0.00 0.00 0.03 0.00 -0.72 0.00 0.00 41.12 40.43 2jqg n ASP 136 CO 0.00 0.00 0.00 2.22 -1.92 0.00 0.00 177.20 177.50 2jqg n PHE 137 N 0.00 -2.14 -3.09 -0.67 1.16 -1.11 -4.99 117.46 106.62 2jqg n PHE 137 Ca 0.00 -1.39 -0.16 0.00 -1.87 0.00 0.00 57.45 54.03 2jqg n PHE 137 Cb 0.00 -0.34 -0.05 0.00 -1.61 0.00 0.00 39.48 37.49 2jqg n PHE 137 CO 0.00 0.00 0.00 0.72 -1.87 0.00 0.00 176.76 175.61 2jqg n HIS 138 N -1.69 -2.33 0.00 2.97 -0.00 -1.00 -3.36 115.22 109.81 2jqg n HIS 138 Ca 0.08 -2.38 0.00 0.00 -0.00 0.00 0.00 57.72 55.42 2jqg n HIS 138 Cb 0.39 0.85 0.00 0.00 -0.00 0.00 0.00 29.99 31.23 2jqg n HIS 138 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2jqg n ALA 139 N 2.88 0.00 0.00 -1.41 0.00 -1.25 0.13 120.51 120.86 2jqg n ALA 139 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.68 2jqg n ALA 139 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.97 2jqg n ALA 139 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2jqg n GLY 140 N -0.15 0.72 3.42 0.00 0.00 -1.06 -2.30 105.19 105.82 2jqg n GLY 140 Ca 0.00 -2.07 -0.37 0.00 0.00 0.00 0.00 46.02 43.58 2jqg n GLY 140 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2jqg s ILE 141 N -1.40 4.21 -0.07 -0.61 1.01 -0.73 -3.62 121.20 119.99 2jqg s ILE 141 Ca 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 60.65 60.38 2jqg s ILE 141 Cb 0.00 -3.00 -0.03 0.00 0.01 0.00 0.00 42.46 39.44 2jqg s ILE 141 CO 0.00 0.30 -0.05 -0.36 0.00 0.00 0.00 174.94 174.83 2jqg s PHE 142 N 1.59 2.98 -0.29 3.97 0.40 -0.78 -2.14 117.98 123.71 2jqg s PHE 142 Ca 0.06 0.06 -0.11 0.00 -0.60 0.00 0.00 56.93 56.34 2jqg s PHE 142 Cb -0.15 -1.73 -0.04 0.00 0.51 0.00 0.00 43.02 41.61 2jqg s PHE 142 CO 0.03 0.36 0.19 -1.17 0.70 0.00 0.00 175.22 175.33 2jqg s LEU 143 N -0.83 4.05 -0.27 -0.37 2.96 0.47 -1.46 118.68 123.24 2jqg s LEU 143 Ca 0.13 -0.08 -0.10 0.00 -0.22 0.00 0.00 54.13 53.85 2jqg s LEU 143 Cb -0.11 -2.11 -0.05 0.00 0.50 0.00 0.00 46.19 44.42 2jqg s LEU 143 CO 0.02 -0.07 0.17 -0.75 -1.32 0.00 0.00 176.35 174.39 2jqg s LYS 144 N 1.74 3.94 6.30 1.98 2.20 -0.95 -4.76 119.74 130.20 2jqg s LYS 144 Ca 0.07 -0.33 0.00 0.00 -0.36 0.00 0.00 55.97 55.35 2jqg s LYS 144 Cb -0.16 -3.59 0.00 0.00 -1.51 0.00 0.00 37.83 32.57 2jqg s LYS 144 CO 0.10 -0.12 0.00 0.41 -0.36 0.00 0.00 175.35 175.38 2jqg n GLY 145 N 4.85 3.71 3.15 5.54 0.00 -1.26 -3.94 105.19 117.24 2jqg n GLY 145 Ca -0.14 0.09 -0.14 0.00 0.00 0.00 0.00 46.02 45.82 2jqg n GLY 145 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2jqg s GLN 146 N 0.00 0.78 -0.88 1.61 -2.07 -1.26 -4.77 119.66 113.07 2jqg s GLN 146 Ca 0.00 -1.09 -0.02 0.00 -1.82 0.00 0.00 55.36 52.43 2jqg s GLN 146 Cb 0.00 -0.45 0.01 0.00 -1.09 0.00 0.00 33.01 31.48 2jqg s GLN 146 CO 0.00 0.07 0.09 0.39 -1.32 0.00 0.00 175.29 174.51 2jqg n GLU 147 N 0.69 -2.57 -3.77 9.60 1.02 -1.26 -4.91 120.64 119.44 2jqg n GLU 147 Ca -0.17 0.45 -0.18 0.00 -0.02 0.00 0.00 57.16 57.24 2jqg n GLU 147 Cb 0.57 -5.04 -0.17 0.00 -0.02 0.00 0.00 31.44 26.78 2jqg n GLU 147 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 2jqg s HIS 148 N -2.54 0.18 -0.01 -0.32 2.46 -1.25 -5.04 115.29 108.75 2jqg s HIS 148 Ca 0.07 0.11 0.04 0.00 0.47 0.00 0.00 55.06 55.75 2jqg s HIS 148 Cb -0.04 -0.43 -0.03 0.00 -0.13 0.00 0.00 32.58 31.95 2jqg s HIS 148 CO 0.09 -0.16 -0.10 0.00 -2.47 0.00 0.00 174.74 172.10 2jqg s ALA 149 N 1.56 2.86 0.17 1.58 0.00 -1.26 -2.24 121.76 124.44 2jqg s ALA 149 Ca -0.03 -1.02 -0.03 0.00 0.00 0.00 0.00 51.96 50.88 2jqg s ALA 149 Cb -0.13 -1.04 -0.03 0.00 0.00 0.00 0.00 23.12 21.92 2jqg s ALA 149 CO -0.03 0.59 0.16 0.14 0.00 0.00 0.00 175.76 176.62 2jqg s VAL 150 N -0.90 0.05 -0.17 0.00 -7.23 -0.53 -4.58 120.40 107.03 2jqg s VAL 150 Ca 0.15 -1.83 -0.06 0.00 -1.81 0.00 0.00 61.98 58.43 2jqg s VAL 150 Cb -0.11 -2.21 0.08 0.00 0.56 0.00 0.00 36.38 34.70 2jqg s VAL 150 CO 0.05 -0.21 0.37 0.12 -0.31 0.00 0.00 175.10 175.11 2jqg s PHE 151 N -4.08 -0.65 0.38 2.82 5.36 -1.26 -1.87 117.98 118.69 2jqg s PHE 151 Ca 0.29 1.31 0.08 0.00 -0.96 0.00 0.00 56.93 57.65 2jqg s PHE 151 Cb 0.06 0.19 -0.05 0.00 -0.34 0.00 0.00 43.02 42.88 2jqg s PHE 151 CO 0.06 -0.42 0.12 0.00 -1.46 0.00 0.00 175.22 173.53 2jqg s ALA 152 N 2.35 3.45 -0.22 11.12 0.00 -1.24 0.27 121.76 137.50 2jqg s ALA 152 Ca -0.02 -2.05 -0.27 0.00 0.00 0.00 0.00 51.96 49.62 2jqg s ALA 152 Cb -0.11 -0.40 0.13 0.00 0.00 0.00 0.00 23.12 22.73 2jqg s ALA 152 CO -0.11 -0.08 1.02 0.00 0.00 0.00 0.00 175.76 176.59 2jqg n VAL 154 N 1.48 0.42 -4.59 0.00 0.31 0.34 -0.39 118.33 115.91 2jqg n VAL 154 Ca -0.11 -0.08 -0.28 0.00 -0.01 0.00 0.00 64.34 63.86 2jqg n VAL 154 Cb 0.57 -1.81 -0.07 0.00 -0.91 0.00 0.00 33.84 31.62 2jqg n VAL 154 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 2jqg n THR 155 N 4.68 0.00 0.33 2.52 -2.24 0.35 -0.97 114.28 118.95 2jqg n THR 155 Ca 0.21 -2.39 0.19 0.00 -2.27 0.00 0.00 64.05 59.78 2jqg n THR 155 Cb 0.30 0.72 1.00 0.00 -2.10 0.00 0.00 70.33 70.25 2jqg n THR 155 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 2jqg h SER 156 N 1.49 0.00 0.18 3.42 0.02 -1.93 0.34 113.55 117.07 2jqg h SER 156 Ca -0.35 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.60 2jqg h SER 156 Cb 1.24 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.78 2jqg h SER 156 CO 0.57 0.00 -0.33 0.59 -1.14 0.00 0.00 176.83 176.52 2jqg n ASN 157 N -3.02 1.24 0.00 3.07 3.02 -1.26 -5.06 115.26 113.25 2jqg n ASN 157 Ca -0.02 -1.02 0.00 0.00 -0.03 0.00 0.00 54.58 53.51 2jqg n ASN 157 Cb 0.25 0.23 0.00 0.00 -0.61 0.00 0.00 39.78 39.65 2jqg n ASN 157 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2jqg n GLY 158 N 1.37 0.19 3.55 7.41 0.00 0.12 -4.70 105.19 113.13 2jqg n GLY 158 Ca 0.11 -1.68 -0.43 0.00 0.00 0.00 0.00 46.02 44.03 2jqg n GLY 158 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2jqg s TRP 159 N 0.00 2.90 0.86 1.61 0.51 -1.26 0.13 118.94 123.68 2jqg s TRP 159 Ca 0.00 -1.59 -0.10 0.00 -2.12 0.00 0.00 56.10 52.29 2jqg s TRP 159 Cb 0.00 -4.64 0.11 0.00 -0.81 0.00 0.00 33.47 28.13 2jqg s TRP 159 CO 0.00 -1.74 1.12 1.52 -0.51 0.00 0.00 176.95 177.35 2jqg s TYR 160 N 3.76 2.00 -0.19 -1.98 -0.85 0.48 0.40 117.35 120.97 2jqg s TYR 160 Ca 0.49 1.70 -0.04 0.00 -0.52 0.00 0.00 57.07 58.70 2jqg s TYR 160 Cb 0.02 -3.22 0.09 0.00 0.38 0.00 0.00 41.96 39.22 2jqg s TYR 160 CO 0.03 -2.41 0.27 0.00 -1.52 0.00 0.00 175.55 171.92 2jqg s ALA 161 N -2.75 -0.55 -1.11 9.51 0.00 0.71 0.29 121.76 127.85 2jqg s ALA 161 Ca 0.64 0.62 -0.22 0.00 0.00 0.00 0.00 51.96 53.00 2jqg s ALA 161 Cb -0.20 -1.31 -0.04 0.00 0.00 0.00 0.00 23.12 21.57 2jqg s ALA 161 CO 0.57 -1.04 1.86 -1.50 0.00 0.00 0.00 175.76 175.65 2jqg s ILE 162 N 2.41 3.65 0.02 0.00 1.10 0.78 -2.91 121.20 126.25 2jqg s ILE 162 Ca 0.06 -0.93 -0.30 0.00 -0.51 0.00 0.00 60.65 58.98 2jqg s ILE 162 Cb -0.14 -4.57 -0.04 0.00 0.15 0.00 0.00 42.46 37.86 2jqg s ILE 162 CO -0.12 -1.24 0.98 -1.81 -2.11 0.00 0.00 174.94 170.64 2jqg s ASP 163 N 6.38 7.40 -0.65 4.50 1.11 0.25 -4.18 116.67 131.47 2jqg s ASP 163 Ca 0.64 1.69 -0.11 0.00 0.18 0.00 0.00 52.55 54.95 2jqg s ASP 163 Cb -0.01 -2.57 0.02 0.00 1.07 0.00 0.00 42.92 41.42 2jqg s ASP 163 CO 0.06 -0.22 0.41 0.47 1.18 0.00 0.00 175.17 177.08 2jqg n ASP 164 N 3.66 -2.85 0.00 0.27 8.00 -1.26 0.25 116.55 124.62 2jqg n ASP 164 Ca 0.05 -0.74 0.00 0.00 0.71 0.00 0.00 54.79 54.82 2jqg n ASP 164 Cb 0.51 -1.02 0.00 0.00 -0.02 0.00 0.00 41.12 40.59 2jqg n ASP 164 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2jqg n GLU 165 N -2.72 -1.62 -4.16 -1.24 1.02 -1.26 -2.74 120.64 107.92 2jqg n GLU 165 Ca -0.14 0.38 -0.28 0.00 -0.02 0.00 0.00 57.16 57.10 2jqg n GLU 165 Cb 0.41 -4.74 -0.08 0.00 -0.02 0.00 0.00 31.44 27.01 2jqg n GLU 165 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2jqg s ASP 166 N -1.88 4.95 -0.08 1.62 1.01 0.71 -3.01 116.67 119.99 2jqg s ASP 166 Ca 0.00 -0.27 0.03 0.00 0.71 0.00 0.00 52.55 53.02 2jqg s ASP 166 Cb 0.00 -1.14 0.01 0.00 1.01 0.00 0.00 42.92 42.80 2jqg s ASP 166 CO 0.00 0.13 -0.18 0.72 0.21 0.00 0.00 175.17 176.05 2jqg s PHE 167 N -1.53 1.96 -0.18 4.23 -0.71 -1.26 0.87 117.98 121.36 2jqg s PHE 167 Ca 0.27 -0.76 -0.27 0.00 -1.04 0.00 0.00 56.93 55.14 2jqg s PHE 167 Cb -0.10 -1.36 0.07 0.00 -1.21 0.00 0.00 43.02 40.42 2jqg s PHE 167 CO 0.19 -0.33 0.68 1.52 -1.34 0.00 0.00 175.22 175.94 2jqg s TYR 168 N 0.48 -0.71 -0.45 3.49 1.13 -1.15 -4.85 117.35 115.29 2jqg s TYR 168 Ca -0.16 1.55 -0.28 0.00 -1.41 0.00 0.00 57.07 56.78 2jqg s TYR 168 Cb -0.16 0.31 -0.00 0.00 -1.10 0.00 0.00 41.96 41.01 2jqg s TYR 168 CO 0.06 -0.46 1.56 -1.25 -2.51 0.00 0.00 175.55 172.95 2jqg s PRO 169 N -0.26 3.34 -0.03 -3.49 0.04 -1.24 0.26 135.00 133.61 2jqg s PRO 169 Ca -0.04 0.91 0.04 0.00 0.04 0.00 0.00 61.00 61.95 2jqg s PRO 169 Cb -0.03 -4.13 0.06 0.00 0.04 0.00 0.00 34.50 30.43 2jqg s PRO 169 CO 0.04 -1.86 0.96 1.87 0.04 0.00 0.00 177.00 178.06 2jqg n TRP 170 N 9.82 0.00 0.00 0.56 -0.00 0.16 -4.82 117.44 123.17 2jqg n TRP 170 Ca 0.18 -0.21 0.00 0.00 -0.00 0.00 0.00 57.50 57.46 2jqg n TRP 170 Cb 0.48 -0.06 0.00 0.00 -0.00 0.00 0.00 31.31 31.73 2jqg n TRP 170 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 177.69 177.94 2jqg n THR 171 N -0.30 0.00 -0.74 5.87 -2.24 -1.10 -5.04 114.28 110.74 2jqg n THR 171 Ca 0.03 0.00 0.08 0.00 -2.27 0.00 0.00 64.05 61.90 2jqg n THR 171 Cb 0.64 0.00 0.36 0.00 -2.10 0.00 0.00 70.33 69.23 2jqg n THR 171 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 2jqg n PRO 172 N 0.00 4.03 -2.52 -0.78 -0.04 -1.25 -4.63 135.00 129.81 2jqg n PRO 172 Ca 0.00 -2.96 -0.05 0.00 -0.04 0.00 0.00 63.50 60.45 2jqg n PRO 172 Cb 0.00 -1.99 -0.02 0.00 -0.04 0.00 0.00 33.50 31.45 2jqg n PRO 172 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2jqg n ASP 173 N 0.80 -0.34 -1.54 3.54 9.92 -1.17 -2.37 116.55 125.38 2jqg n ASP 173 Ca 0.26 -1.65 -0.09 0.00 -0.53 0.00 0.00 54.79 52.77 2jqg n ASP 173 Cb 0.98 0.68 0.04 0.00 -0.64 0.00 0.00 41.12 42.19 2jqg n ASP 173 CO 0.00 0.00 0.00 -0.81 0.13 0.00 0.00 177.20 176.52 2jqg n PRO 174 N -0.19 1.46 -0.20 -0.24 -0.04 -1.26 -4.37 135.00 130.15 2jqg n PRO 174 Ca 0.01 -1.00 -0.07 0.00 -0.04 0.00 0.00 63.50 62.40 2jqg n PRO 174 Cb 0.19 -1.39 0.03 0.00 -0.04 0.00 0.00 33.50 32.29 2jqg n PRO 174 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 2jqg h SER 175 N 0.73 0.74 0.00 3.54 0.02 -1.95 -3.26 113.55 113.36 2jqg h SER 175 Ca 0.20 -0.12 0.00 0.00 -0.84 0.00 0.00 61.79 61.03 2jqg h SER 175 Cb 1.33 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 63.68 2jqg h SER 175 CO 0.42 0.65 0.00 0.47 -1.14 0.00 0.00 176.83 177.23 2jqg n ASP 176 N -4.56 0.91 -4.72 3.07 8.00 -1.26 -5.04 116.55 112.96 2jqg n ASP 176 Ca 0.03 -1.07 -0.25 0.00 0.71 0.00 0.00 54.79 54.22 2jqg n ASP 176 Cb 0.11 0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 41.15 2jqg n ASP 176 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2jqg s VAL 177 N -0.07 3.95 -0.24 2.53 0.11 -1.23 0.18 120.40 125.63 2jqg s VAL 177 Ca 0.00 -1.47 0.17 0.00 -2.93 0.00 0.00 61.98 57.75 2jqg s VAL 177 Cb 0.00 -3.05 0.48 0.00 -1.53 0.00 0.00 36.38 32.27 2jqg s VAL 177 CO 0.00 -0.22 1.15 0.18 -3.33 0.00 0.00 175.10 172.88 2jqg n LEU 178 N -0.57 2.69 -3.63 2.54 7.99 -0.91 -4.48 117.00 120.64 2jqg n LEU 178 Ca -0.08 -3.55 -0.04 0.00 -0.01 0.00 0.00 56.01 52.33 2jqg n LEU 178 Cb 0.57 0.10 -0.06 0.00 -0.11 0.00 0.00 43.42 43.91 2jqg n LEU 178 CO 0.41 1.36 0.54 0.54 -1.51 0.00 0.00 177.39 178.72 2jqg s VAL 179 N -3.65 -0.06 0.36 4.08 0.11 -1.26 -3.08 120.40 116.90 2jqg s VAL 179 Ca 0.36 0.00 0.06 0.00 -2.93 0.00 0.00 61.98 59.48 2jqg s VAL 179 Cb 0.36 -1.00 -0.03 0.00 -1.53 0.00 0.00 36.38 34.18 2jqg s VAL 179 CO -0.03 0.00 0.23 0.72 -3.33 0.00 0.00 175.10 172.70 2jqg s PHE 180 N 1.56 1.78 -0.08 1.54 -0.71 0.36 -1.77 117.98 120.67 2jqg s PHE 180 Ca -0.09 -1.56 0.01 0.00 -1.04 0.00 0.00 56.93 54.25 2jqg s PHE 180 Cb -0.05 -0.86 -0.03 0.00 -1.21 0.00 0.00 43.02 40.88 2jqg s PHE 180 CO -0.17 -0.70 -0.10 0.54 -1.34 0.00 0.00 175.22 173.45 2jqg s VAL 181 N -3.35 3.39 0.37 -2.49 0.11 -0.97 -0.87 120.40 116.59 2jqg s VAL 181 Ca 0.35 -0.59 -0.27 0.00 -2.93 0.00 0.00 61.98 58.54 2jqg s VAL 181 Cb 0.02 -2.38 -0.10 0.00 -1.53 0.00 0.00 36.38 32.40 2jqg s VAL 181 CO 0.24 0.58 1.30 -2.16 -3.33 0.00 0.00 175.10 171.73 2jqg s PRO 182 N -0.55 4.17 0.26 1.54 0.04 -1.26 -4.40 135.00 134.79 2jqg s PRO 182 Ca 0.08 2.18 0.02 0.00 0.04 0.00 0.00 61.00 63.31 2jqg s PRO 182 Cb -0.12 -2.91 -0.04 0.00 0.04 0.00 0.00 34.50 31.47 2jqg s PRO 182 CO 0.02 -0.33 0.16 1.52 0.04 0.00 0.00 177.00 178.41 2jqg s TYR 183 N -1.21 1.42 0.18 0.56 1.13 -1.26 -4.99 117.35 113.19 2jqg s TYR 183 Ca 0.53 -1.41 -0.16 0.00 -1.41 0.00 0.00 57.07 54.62 2jqg s TYR 183 Cb -0.39 -0.70 0.02 0.00 -1.10 0.00 0.00 41.96 39.80 2jqg s TYR 183 CO 0.51 -0.62 0.48 0.16 -2.51 0.00 0.00 175.55 173.56 2jqg s ASP 184 N -3.27 -0.21 0.14 -0.18 1.47 -1.26 -5.06 116.67 108.30 2jqg s ASP 184 Ca 0.38 -0.52 0.05 0.00 1.18 0.00 0.00 52.55 53.64 2jqg s ASP 184 Cb 0.06 0.55 -0.04 0.00 -0.34 0.00 0.00 42.92 43.14 2jqg s ASP 184 CO 0.16 -1.01 -0.11 -1.58 0.68 0.00 0.00 175.17 173.31 2jqg s GLN 185 N -3.88 1.03 -0.44 2.11 0.74 -1.26 -5.11 119.66 112.84 2jqg s GLN 185 Ca 0.10 -1.37 -0.14 0.00 0.05 0.00 0.00 55.36 54.00 2jqg s GLN 185 Cb -0.00 -0.68 0.06 0.00 1.10 0.00 0.00 33.01 33.49 2jqg s GLN 185 CO -0.03 0.10 0.34 -2.00 -0.55 0.00 0.00 175.29 173.14 2jqg s GLU 186 N -3.37 2.90 0.55 1.67 2.12 -1.26 -5.06 118.70 116.25 2jqg s GLU 186 Ca 0.13 -1.28 -0.19 0.00 0.36 0.00 0.00 54.97 54.00 2jqg s GLU 186 Cb 0.00 -4.01 -0.05 0.00 0.26 0.00 0.00 34.13 30.33 2jqg s GLU 186 CO 0.01 -0.93 1.11 -1.25 -0.54 0.00 0.00 175.26 173.66 2jqg s PRO 187 N 1.61 3.33 -0.21 4.30 0.04 -1.26 -5.02 135.00 137.79 2jqg s PRO 187 Ca 0.04 1.53 -0.13 0.00 0.04 0.00 0.00 61.00 62.48 2jqg s PRO 187 Cb -0.23 -2.01 -0.05 0.00 0.04 0.00 0.00 34.50 32.26 2jqg s PRO 187 CO 0.07 -0.85 0.26 -1.17 0.04 0.00 0.00 177.00 175.34 2jqg s LEU 188 N -3.94 4.15 -0.17 -3.56 2.96 -1.26 -5.06 118.68 111.80 2jqg s LEU 188 Ca 0.71 0.31 0.00 0.00 -0.22 0.00 0.00 54.13 54.93 2jqg s LEU 188 Cb -0.22 -2.28 0.04 0.00 0.50 0.00 0.00 46.19 44.22 2jqg s LEU 188 CO 0.28 0.03 -0.10 0.21 -1.32 0.00 0.00 176.35 175.45 2jqg s ASN 189 N 0.94 3.01 -0.13 3.68 2.47 -1.26 -5.10 114.94 118.54 2jqg s ASN 189 Ca 0.13 -0.70 -0.30 0.00 0.42 0.00 0.00 52.86 52.41 2jqg s ASN 189 Cb -0.14 -1.12 0.12 0.00 -1.45 0.00 0.00 41.25 38.66 2jqg s ASN 189 CO 0.05 -0.13 0.94 -0.83 -3.72 0.00 0.00 177.10 173.41 2jqg s GLY 190 N 1.49 -0.33 0.00 1.21 0.00 -1.26 -5.14 107.32 103.29 2jqg s GLY 190 Ca 0.01 1.84 0.00 0.00 0.00 0.00 0.00 44.72 46.57 2jqg s GLY 190 CO -0.09 0.96 0.00 1.18 0.00 0.00 0.00 173.10 175.15 2jqg n GLU 191 N 0.67 0.00 -4.14 2.90 1.02 -1.26 -4.91 120.64 114.92 2jqg n GLU 191 Ca -0.11 0.00 -0.09 0.00 -0.02 0.00 0.00 57.16 56.93 2jqg n GLU 191 Cb 0.58 0.00 -0.10 0.00 -0.02 0.00 0.00 31.44 31.90 2jqg n GLU 191 CO 0.00 0.00 0.00 1.67 1.18 0.00 0.00 177.13 179.98 2jqg s TRP 192 N 0.00 0.80 -0.42 -0.32 -2.14 -1.26 -5.12 118.94 110.48 2jqg s TRP 192 Ca 0.00 -1.14 -0.16 0.00 2.66 0.00 0.00 56.10 57.46 2jqg s TRP 192 Cb 0.00 -0.48 0.02 0.00 -3.10 0.00 0.00 33.47 29.91 2jqg s TRP 192 CO 0.00 -0.42 0.38 0.15 -2.66 0.00 0.00 176.95 174.40 2jqg s LYS 193 N -3.98 3.04 -0.03 3.25 1.02 -1.26 -5.06 119.74 116.72 2jqg s LYS 193 Ca 0.18 -0.87 -0.02 0.00 0.02 0.00 0.00 55.97 55.28 2jqg s LYS 193 Cb 0.07 -3.97 -0.04 0.00 -0.52 0.00 0.00 37.83 33.37 2jqg s LYS 193 CO -0.02 -0.81 0.11 0.00 -0.92 0.00 0.00 175.35 173.72 2jqg s ALA 194 N 1.94 3.72 0.00 5.17 0.00 -1.26 -5.33 121.76 126.00 2jqg s ALA 194 Ca 0.09 -0.80 0.00 0.00 0.00 0.00 0.00 51.96 51.25 2jqg s ALA 194 Cb -0.18 -1.72 0.00 0.00 0.00 0.00 0.00 23.12 21.22 2jqg s ALA 194 CO 0.12 0.69 0.10 1.17 0.00 0.00 0.00 175.76 177.84