#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 3.55 0.11 0.03 2.12 -1.26 -1.84 118.70 121.41 2jqg s GLU 30 Ca 0.00 -0.57 -0.00 0.00 0.36 0.00 0.00 54.97 54.75 2jqg s GLU 30 Cb 0.00 -2.91 -0.04 0.00 0.26 0.00 0.00 34.13 31.44 2jqg s GLU 30 CO 0.00 0.11 0.02 -0.48 -0.54 0.00 0.00 175.26 174.36 2jqg s LEU 31 N 0.71 2.07 -0.18 2.70 2.34 -0.91 -4.85 118.68 120.55 2jqg s LEU 31 Ca -0.02 -1.13 -0.07 0.00 0.06 0.00 0.00 54.13 52.97 2jqg s LEU 31 Cb -0.15 0.20 -0.04 0.00 -0.56 0.00 0.00 46.19 45.64 2jqg s LEU 31 CO 0.02 -0.65 0.05 0.42 -1.06 0.00 0.00 176.35 175.12 2jqg s THR 32 N -3.93 4.60 -0.03 5.48 -4.23 -1.26 -1.64 115.64 114.64 2jqg s THR 32 Ca 0.19 -0.10 0.03 0.00 -1.18 0.00 0.00 61.69 60.63 2jqg s THR 32 Cb 0.07 -3.07 0.00 0.00 1.34 0.00 0.00 72.50 70.84 2jqg s THR 32 CO -0.02 0.46 -0.11 -1.48 -0.54 0.00 0.00 174.62 172.93 2jqg s LEU 33 N 0.45 1.83 0.30 4.79 -0.00 -1.22 -1.66 118.68 123.17 2jqg s LEU 33 Ca 0.02 -0.23 0.22 0.00 -0.00 0.00 0.00 54.13 54.14 2jqg s LEU 33 Cb -0.13 -0.65 1.01 0.00 -0.00 0.00 0.00 46.19 46.42 2jqg s LEU 33 CO 0.01 0.09 1.06 0.00 -0.00 0.00 0.00 176.35 177.51 2jqg n TYR 34 N 3.22 0.49 -2.92 3.48 9.36 0.70 -1.10 117.16 130.37 2jqg n TYR 34 Ca -0.18 0.49 -0.38 0.00 3.32 0.00 0.00 57.90 61.15 2jqg n TYR 34 Cb 0.54 -0.89 -0.01 0.00 -0.63 0.00 0.00 39.34 38.36 2jqg n TYR 34 CO 0.00 0.00 0.00 0.09 0.22 0.00 0.00 176.86 177.17 2jqg n ASN 35 N -4.06 6.16 0.00 2.98 3.02 -1.26 -4.47 115.26 117.63 2jqg n ASN 35 Ca 0.27 -3.56 0.00 0.00 -0.03 0.00 0.00 54.58 51.27 2jqg n ASN 35 Cb 1.06 -1.06 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 2jqg n ASN 35 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2jqg n GLY 36 N 0.55 0.86 0.00 7.41 0.00 -0.80 -2.34 105.19 110.87 2jqg n GLY 36 Ca 0.35 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.37 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 -1.47 1.61 1.02 -0.26 -3.90 120.64 117.64 2jqg n GLU 37 Ca 0.00 0.00 -0.49 0.00 -0.02 0.00 0.00 57.16 56.65 2jqg n GLU 37 Cb 0.00 0.00 -0.07 0.00 -0.02 0.00 0.00 31.44 31.35 2jqg n GLU 37 CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67 2jqg n LYS 38 N 0.00 1.15 -3.75 3.49 2.85 -1.24 -3.40 118.16 117.26 2jqg n LYS 38 Ca 0.00 0.30 -0.13 0.00 -1.05 0.00 0.00 58.31 57.42 2jqg n LYS 38 Cb 0.00 -2.59 -0.09 0.00 -0.65 0.00 0.00 35.03 31.70 2jqg n LYS 38 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 177.40 177.50 2jqg s LYS 39 N 6.45 0.61 -0.14 -1.58 -0.14 -0.65 -4.92 119.74 119.38 2jqg s LYS 39 Ca 1.09 0.02 -0.24 0.00 -1.36 0.00 0.00 55.97 55.47 2jqg s LYS 39 Cb -0.76 0.28 -0.02 0.00 -1.68 0.00 0.00 37.83 35.64 2jqg s LYS 39 CO 0.46 -0.15 0.78 0.99 -0.76 0.00 0.00 175.35 176.67 2jqg s THR 40 N -0.90 4.94 0.16 2.17 2.01 -1.26 -2.15 115.64 120.61 2jqg s THR 40 Ca -0.10 1.54 0.07 0.00 0.31 0.00 0.00 61.69 63.51 2jqg s THR 40 Cb -0.04 -4.09 -0.04 0.00 0.01 0.00 0.00 72.50 68.33 2jqg s THR 40 CO 0.03 0.10 0.01 -0.36 -0.69 0.00 0.00 174.62 173.71 2jqg s PHE 41 N 1.74 2.89 0.33 4.92 0.40 -0.77 -4.67 117.98 122.83 2jqg s PHE 41 Ca 0.37 -0.11 0.09 0.00 -0.60 0.00 0.00 56.93 56.68 2jqg s PHE 41 Cb -0.17 -1.41 -0.05 0.00 0.51 0.00 0.00 43.02 41.89 2jqg s PHE 41 CO 0.14 0.51 -0.01 0.71 0.70 0.00 0.00 175.22 177.27 2jqg s TYR 42 N -1.67 2.53 0.00 0.36 2.02 -1.26 -4.03 117.35 115.30 2jqg s TYR 42 Ca 0.27 -0.42 0.00 0.00 -0.37 0.00 0.00 57.07 56.55 2jqg s TYR 42 Cb -0.10 -1.43 0.00 0.00 -0.40 0.00 0.00 41.96 40.04 2jqg s TYR 42 CO 0.19 0.51 0.00 0.43 -1.57 0.00 0.00 175.55 175.11 2jqg n SER 43 N -0.91 0.00 -4.12 2.29 7.64 -1.26 -3.66 113.62 113.60 2jqg n SER 43 Ca -0.04 0.00 -0.30 0.00 1.01 0.00 0.00 58.87 59.54 2jqg n SER 43 Cb 0.62 0.00 0.21 0.00 -1.01 0.00 0.00 64.21 64.03 2jqg n SER 43 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 2jqg s ARG 44 N 0.00 -0.37 -0.49 1.43 0.52 -0.31 -3.97 118.95 115.75 2jqg s ARG 44 Ca 0.00 -0.01 -0.26 0.00 -0.52 0.00 0.00 55.73 54.94 2jqg s ARG 44 Cb 0.00 -1.69 -0.06 0.00 0.52 0.00 0.00 34.95 33.72 2jqg s ARG 44 CO 0.00 -3.16 2.32 -1.25 0.02 0.00 0.00 175.30 173.23 2jqg s PRO 45 N -5.42 2.23 0.00 3.54 0.04 -1.16 -4.23 135.00 130.01 2jqg s PRO 45 Ca 0.70 1.32 0.00 0.00 0.04 0.00 0.00 61.00 63.06 2jqg s PRO 45 Cb -0.11 -4.54 0.00 0.00 0.04 0.00 0.00 34.50 29.89 2jqg s PRO 45 CO 0.55 -3.14 0.00 0.09 0.04 0.00 0.00 177.00 174.55 2jqg n ASN 46 N 15.23 0.00 -3.29 6.66 4.13 -1.25 -4.57 115.26 132.16 2jqg n ASN 46 Ca 0.34 0.00 -0.20 0.00 1.68 0.00 0.00 54.58 56.40 2jqg n ASN 46 Cb 0.54 0.00 -0.07 0.00 -1.54 0.00 0.00 39.78 38.71 2jqg n ASN 46 CO 0.00 0.00 0.00 -0.46 0.28 0.00 0.00 177.26 177.08 2jqg n ASN 47 N 0.00 0.19 -0.19 6.41 2.04 -1.26 -5.00 115.26 117.45 2jqg n ASN 47 Ca 0.00 -2.96 0.12 0.00 -0.44 0.00 0.00 54.58 51.30 2jqg n ASN 47 Cb 0.00 1.24 0.23 0.00 -2.53 0.00 0.00 39.78 38.72 2jqg n ASN 47 CO 0.00 0.00 0.00 1.41 -0.44 0.00 0.00 177.26 178.23 2jqg n HIS 48 N -0.69 0.00 0.00 -2.53 8.25 -1.26 -4.78 115.22 114.21 2jqg n HIS 48 Ca 0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.47 2jqg n HIS 48 Cb 0.55 -0.13 0.00 0.00 1.12 0.00 0.00 29.99 31.53 2jqg n HIS 48 CO 0.00 0.00 0.00 -0.40 0.64 0.00 0.00 176.34 176.58 2jqg n ASP 49 N -0.89 0.00 0.00 0.41 5.68 -1.26 -5.04 116.55 115.45 2jqg n ASP 49 Ca 0.09 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.38 2jqg n ASP 49 Cb 0.36 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.34 2jqg n ASP 49 CO 0.00 0.00 0.00 -3.20 -1.33 0.00 0.00 177.20 172.67 2jqg n ASN 50 N 0.00 0.05 -0.11 -1.12 4.05 -1.26 -4.57 115.26 112.30 2jqg n ASN 50 Ca 0.00 -0.70 -0.11 0.00 0.45 0.00 0.00 54.58 54.22 2jqg n ASN 50 Cb 0.00 0.02 -0.03 0.00 1.23 0.00 0.00 39.78 41.01 2jqg n ASN 50 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2jqg h ALA 51 N 0.00 0.45 -0.62 5.20 0.00 -1.85 0.36 119.26 122.79 2jqg h ALA 51 Ca 0.00 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 2jqg h ALA 51 Cb 0.32 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 2jqg h ALA 51 CO 0.00 0.21 0.35 -1.49 0.00 0.00 0.00 179.25 178.32 2jqg h TRP 52 N 0.39 0.83 -0.23 0.00 4.06 -1.88 0.19 115.95 119.31 2jqg h TRP 52 Ca 0.09 -0.01 -0.11 0.00 2.06 0.00 0.00 58.89 60.92 2jqg h TRP 52 Cb 0.46 -0.27 -0.01 0.00 -1.00 0.00 0.00 29.16 28.33 2jqg h TRP 52 CO 0.04 0.58 -0.34 -0.07 -3.56 0.00 0.00 178.44 175.09 2jqg h LEU 53 N 0.86 0.50 -1.74 -4.49 3.38 -1.80 -0.35 115.31 111.68 2jqg h LEU 53 Ca 0.22 -0.20 0.25 0.00 0.09 0.00 0.00 57.88 58.25 2jqg h LEU 53 Cb 0.01 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.59 2jqg h LEU 53 CO -0.04 0.81 0.81 -0.55 0.09 0.00 0.00 178.44 179.56 2jqg h ASN 54 N 0.41 0.00 0.44 -0.43 7.08 0.29 1.79 115.58 125.16 2jqg h ASN 54 Ca 0.05 0.00 -0.02 0.00 -3.08 0.00 0.00 56.30 53.25 2jqg h ASN 54 Cb 0.79 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.04 2jqg h ASN 54 CO 0.06 0.00 -0.21 0.00 -2.08 0.00 0.00 177.43 175.20 2jqg h ALA 55 N 1.19 -0.60 -0.64 4.14 0.00 -0.73 1.40 119.26 124.03 2jqg h ALA 55 Ca 0.41 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 55.11 2jqg h ALA 55 Cb 2.03 0.23 -0.03 0.00 0.00 0.00 0.00 17.79 20.02 2jqg h ALA 55 CO -0.00 -0.65 0.30 0.82 0.00 0.00 0.00 179.25 179.72 2jqg h ILE 56 N -0.97 1.22 0.71 0.00 5.03 0.18 0.49 117.51 124.17 2jqg h ILE 56 Ca -0.06 -0.65 -0.03 0.00 -0.12 0.00 0.00 64.86 64.00 2jqg h ILE 56 Cb 0.57 0.46 0.01 0.00 -3.03 0.00 0.00 36.82 34.83 2jqg h ILE 56 CO 0.10 0.26 -0.34 -0.07 -0.68 0.00 0.00 178.15 177.42 2jqg h LEU 57 N 0.89 -0.81 -1.27 1.44 -0.00 0.24 0.44 115.31 116.25 2jqg h LEU 57 Ca 0.22 0.03 -0.05 0.00 -0.00 0.00 0.00 57.88 58.08 2jqg h LEU 57 Cb 0.14 0.21 -0.02 0.00 -0.00 0.00 0.00 40.66 40.99 2jqg h LEU 57 CO -0.03 -0.46 -0.01 0.06 -0.00 0.00 0.00 178.44 178.00 2jqg h GLN 58 N -1.19 0.48 -0.05 1.13 3.07 0.19 0.31 115.11 119.05 2jqg h GLN 58 Ca -0.10 -0.10 -0.03 0.00 0.09 0.00 0.00 58.65 58.52 2jqg h GLN 58 Cb 0.73 -0.07 -0.00 0.00 0.08 0.00 0.00 27.48 28.22 2jqg h GLN 58 CO 0.16 0.52 -0.08 -0.07 0.09 0.00 0.00 178.83 179.45 2jqg h LEU 59 N 0.46 0.15 -0.37 0.06 4.07 -0.88 -2.29 115.31 116.49 2jqg h LEU 59 Ca 0.10 -0.54 -0.01 0.00 0.08 0.00 0.00 57.88 57.51 2jqg h LEU 59 Cb 0.32 -0.04 -0.02 0.00 1.08 0.00 0.00 40.66 42.00 2jqg h LEU 59 CO 0.01 0.66 0.21 -0.26 -1.08 0.00 0.00 178.44 177.98 2jqg h PHE 60 N -0.37 0.51 -0.27 1.13 0.04 0.24 -1.78 116.94 116.43 2jqg h PHE 60 Ca 0.00 -0.01 0.05 0.00 2.80 0.00 0.00 57.97 60.81 2jqg h PHE 60 Cb 0.63 -0.16 -0.01 0.00 2.20 0.00 0.00 35.95 38.61 2jqg h PHE 60 CO 0.11 0.39 0.19 -0.09 -0.60 0.00 0.00 178.31 178.31 2jqg h ARG 61 N 0.48 0.15 0.37 1.51 9.65 -0.38 -0.20 114.38 125.95 2jqg h ARG 61 Ca 0.13 -0.01 -0.02 0.00 -1.10 0.00 0.00 59.98 58.98 2jqg h ARG 61 Cb 0.05 -0.03 0.00 0.00 -1.39 0.00 0.00 29.97 28.60 2jqg h ARG 61 CO -0.02 0.10 -0.18 1.88 2.80 0.00 0.00 179.97 184.55 2jqg h TYR 62 N 0.15 -0.47 -0.09 2.20 0.05 -0.72 -2.69 116.97 115.41 2jqg h TYR 62 Ca 0.12 -0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.89 2jqg h TYR 62 Cb 0.29 0.15 0.00 0.00 1.01 0.00 0.00 36.73 38.19 2jqg h TYR 62 CO -0.00 -0.24 0.00 0.28 -1.05 0.00 0.00 178.16 177.15 2jqg n VAL 63 N -5.27 0.11 -3.07 -2.88 0.31 -1.09 -4.30 118.33 102.14 2jqg n VAL 63 Ca -0.11 -0.20 -0.13 0.00 -0.01 0.00 0.00 64.34 63.89 2jqg n VAL 63 Cb 0.24 0.10 0.06 0.00 -0.91 0.00 0.00 33.84 33.33 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 -0.15 -4.75 -3.60 5.55 2.13 -0.20 -5.01 120.64 114.61 2jqg n GLU 64 Ca 0.16 0.54 -0.29 0.00 0.66 0.00 0.00 57.16 58.23 2jqg n GLU 64 Cb 0.22 -4.69 -0.12 0.00 0.27 0.00 0.00 31.44 27.12 2jqg n GLU 64 CO 0.00 0.00 0.00 -1.21 -0.41 0.00 0.00 177.13 175.51 2jqg s GLU 65 N -5.38 1.01 -1.08 5.31 8.01 -0.54 -5.01 118.70 121.03 2jqg s GLU 65 Ca 0.19 -1.78 -0.22 0.00 0.01 0.00 0.00 54.97 53.17 2jqg s GLU 65 Cb -0.09 -1.92 0.05 0.00 -4.31 0.00 0.00 34.13 27.86 2jqg s GLU 65 CO 0.47 -1.19 1.55 -1.25 0.01 0.00 0.00 175.26 174.85 2jqg s PRO 66 N 0.57 3.61 0.20 0.39 0.04 -1.26 -4.61 135.00 133.94 2jqg s PRO 66 Ca 0.19 -1.28 0.15 0.00 0.04 0.00 0.00 61.00 60.10 2jqg s PRO 66 Cb -0.22 -5.38 -0.02 0.00 0.04 0.00 0.00 34.50 28.92 2jqg s PRO 66 CO -0.01 -2.32 1.25 0.35 0.04 0.00 0.00 177.00 176.31 2jqg h PHE 67 N 9.37 0.00 0.00 0.56 3.57 -1.93 -3.24 116.94 125.28 2jqg h PHE 67 Ca 0.25 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.75 2jqg h PHE 67 Cb 0.98 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.72 2jqg h PHE 67 CO 1.31 0.57 0.00 1.97 -2.23 0.00 0.00 178.31 179.93 2jqg n PHE 68 N -3.14 0.00 -0.39 0.41 1.16 -1.26 -4.50 117.46 109.74 2jqg n PHE 68 Ca -0.02 0.00 0.35 0.00 -1.87 0.00 0.00 57.45 55.91 2jqg n PHE 68 Cb 0.79 -0.06 0.60 0.00 -1.61 0.00 0.00 39.48 39.19 2jqg n PHE 68 CO 0.00 0.00 0.00 -0.25 -1.87 0.00 0.00 176.76 174.64 2jqg n ASP 69 N 0.13 0.23 0.21 5.98 8.00 -1.23 0.19 116.55 130.07 2jqg n ASP 69 Ca 0.00 1.35 0.06 0.00 0.71 0.00 0.00 54.79 56.91 2jqg n ASP 69 Cb 0.14 -0.66 0.54 0.00 -0.02 0.00 0.00 41.12 41.12 2jqg n ASP 69 CO 0.00 0.00 0.00 -0.50 -0.39 0.00 0.00 177.20 176.31 2jqg h TRP 70 N 0.00 0.06 0.02 1.24 4.06 -1.92 -0.93 115.95 118.48 2jqg h TRP 70 Ca 0.80 -0.00 -0.00 0.00 2.06 0.00 0.00 58.89 61.75 2jqg h TRP 70 Cb 2.43 -0.02 0.00 0.00 -1.00 0.00 0.00 29.16 30.58 2jqg h TRP 70 CO -0.01 0.14 -0.01 0.28 -3.56 0.00 0.00 178.44 175.28 2jqg h VAL 71 N 0.06 0.00 -0.45 1.49 2.07 0.19 -3.21 116.25 116.40 2jqg h VAL 71 Ca 0.01 -0.26 -0.12 0.00 0.82 0.00 0.00 66.70 67.15 2jqg h VAL 71 Cb 0.18 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 29.93 2jqg h VAL 71 CO 0.01 0.00 -0.21 1.88 0.02 0.00 0.00 177.57 179.27 2jqg h TYR 72 N -0.29 1.02 0.00 1.57 -1.99 -1.63 -2.54 116.97 113.11 2jqg h TYR 72 Ca -0.00 -0.24 -0.01 0.00 2.00 0.00 0.00 58.73 60.48 2jqg h TYR 72 Cb 0.02 -0.24 -0.00 0.00 2.00 0.00 0.00 36.73 38.51 2jqg h TYR 72 CO 0.01 1.02 -0.03 0.77 -0.00 0.00 0.00 178.16 179.93 2jqg h SER 73 N 0.78 0.00 -3.87 3.88 0.02 -1.37 -3.40 113.55 109.60 2jqg h SER 73 Ca 0.11 0.00 -0.64 0.00 -0.84 0.00 0.00 61.79 60.42 2jqg h SER 73 Cb 0.76 0.00 -0.17 0.00 0.14 0.00 0.00 62.40 63.13 2jqg h SER 73 CO 0.06 0.03 -0.49 -0.55 -1.14 0.00 0.00 176.83 174.74 2jqg s SER 74 N -5.60 6.04 0.54 3.07 0.15 -0.96 -4.94 113.70 112.00 2jqg s SER 74 Ca -0.03 -0.01 0.34 0.00 0.70 0.00 0.00 55.95 56.95 2jqg s SER 74 Cb 0.12 -2.13 1.53 0.00 -1.71 0.00 0.00 66.02 63.83 2jqg s SER 74 CO 0.49 -0.07 2.02 1.55 1.20 0.00 0.00 173.24 178.43 2jqg h PRO 75 N 8.36 0.00 -6.29 5.44 0.13 -1.82 -3.44 132.00 134.39 2jqg h PRO 75 Ca -0.34 0.00 -0.45 0.00 -0.87 0.00 0.00 66.00 64.33 2jqg h PRO 75 Cb 1.19 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.31 2jqg h PRO 75 CO 0.56 0.00 -0.37 -1.21 -0.23 0.00 0.00 178.00 176.76 2jqg s GLU 76 N -3.72 3.02 -0.81 0.86 2.02 -1.26 -4.97 118.70 113.84 2jqg s GLU 76 Ca 0.00 -1.08 -0.25 0.00 0.02 0.00 0.00 54.97 53.66 2jqg s GLU 76 Cb 0.10 -2.73 -0.16 0.00 0.10 0.00 0.00 34.13 31.44 2jqg s GLU 76 CO 0.49 0.07 2.39 0.27 0.02 0.00 0.00 175.26 178.50 2jqg n ASN 77 N -1.57 1.56 -1.26 -0.19 6.94 -1.26 -4.66 115.26 114.81 2jqg n ASN 77 Ca -0.01 -1.46 0.04 0.00 -0.02 0.00 0.00 54.58 53.14 2jqg n ASN 77 Cb 0.58 -1.59 0.28 0.00 -2.36 0.00 0.00 39.78 36.70 2jqg n ASN 77 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 2jqg n LEU 78 N 17.87 4.58 0.05 -4.53 7.99 -1.26 -4.66 117.00 137.03 2jqg n LEU 78 Ca 0.48 -3.13 -0.11 0.00 -0.01 0.00 0.00 56.01 53.24 2jqg n LEU 78 Cb 0.41 -0.61 -0.04 0.00 -0.11 0.00 0.00 43.42 43.07 2jqg n LEU 78 CO 0.58 0.76 0.74 0.00 -1.51 0.00 0.00 177.39 177.96 2jqg h THR 79 N 2.19 0.57 -0.46 -5.08 1.03 -1.84 -1.34 112.91 107.98 2jqg h THR 79 Ca 0.07 0.00 0.09 0.00 -0.01 0.00 0.00 66.41 66.57 2jqg h THR 79 Cb 1.71 0.57 -0.09 0.00 -1.07 0.00 0.00 68.15 69.26 2jqg h THR 79 CO 0.37 0.00 -0.16 0.17 -0.01 0.00 0.00 175.52 175.89 2jqg h LEU 80 N -0.28 -0.57 -1.38 0.00 8.10 -1.83 0.84 115.31 120.19 2jqg h LEU 80 Ca 0.06 0.15 -0.06 0.00 0.11 0.00 0.00 57.88 58.14 2jqg h LEU 80 Cb 0.36 0.34 -0.01 0.00 -0.44 0.00 0.00 40.66 40.91 2jqg h LEU 80 CO -0.18 -0.20 -0.31 -0.08 -4.11 0.00 0.00 178.44 173.57 2jqg h GLU 81 N -0.06 0.00 -0.09 0.17 4.81 -1.86 0.14 114.58 117.70 2jqg h GLU 81 Ca 0.22 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.44 2jqg h GLU 81 Cb 0.40 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.78 2jqg h GLU 81 CO -0.51 0.31 -0.01 0.00 -0.73 0.00 0.00 179.01 178.06 2jqg h ALA 82 N 1.69 0.12 0.14 2.92 0.00 0.27 -3.12 119.26 121.28 2jqg h ALA 82 Ca -0.00 -0.20 -0.35 0.00 0.00 0.00 0.00 54.91 54.36 2jqg h ALA 82 Cb 0.59 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 2jqg h ALA 82 CO 0.04 -0.17 -1.82 -0.84 0.00 0.00 0.00 179.25 176.46 2jqg h ILE 83 N -0.15 0.82 -0.98 0.00 3.07 -1.09 -3.00 117.51 116.19 2jqg h ILE 83 Ca 0.02 -2.49 0.24 0.00 1.55 0.00 0.00 64.86 64.18 2jqg h ILE 83 Cb 0.40 2.62 -0.08 0.00 -0.27 0.00 0.00 36.82 39.50 2jqg h ILE 83 CO 0.01 0.84 0.64 0.50 -1.05 0.00 0.00 178.15 179.09 2jqg h LYS 84 N 0.08 0.37 -0.10 0.16 3.64 -0.85 1.91 116.57 121.78 2jqg h LYS 84 Ca -0.36 -0.02 -0.20 0.00 -1.27 0.00 0.00 60.65 58.80 2jqg h LYS 84 Cb 2.05 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 33.79 2jqg h LYS 84 CO 0.13 0.25 -0.75 0.37 -2.27 0.00 0.00 179.45 177.17 2jqg h GLN 85 N 0.38 0.53 -0.66 1.90 4.15 -1.63 -2.85 115.11 116.93 2jqg h GLN 85 Ca 0.53 -0.43 -0.04 0.00 0.77 0.00 0.00 58.65 59.47 2jqg h GLN 85 Cb 1.37 0.09 -0.03 0.00 0.21 0.00 0.00 27.48 29.12 2jqg h GLN 85 CO -0.22 1.06 0.24 1.25 -1.93 0.00 0.00 178.83 179.24 2jqg h LEU 86 N 0.36 0.91 -0.98 -2.39 7.12 0.26 -1.82 115.31 118.77 2jqg h LEU 86 Ca -0.04 -0.14 -0.01 0.00 0.13 0.00 0.00 57.88 57.83 2jqg h LEU 86 Cb 1.35 -0.24 -0.04 0.00 -0.53 0.00 0.00 40.66 41.20 2jqg h LEU 86 CO 0.14 0.83 0.55 -0.08 -0.13 0.00 0.00 178.44 179.75 2jqg h GLU 87 N 0.96 1.26 -0.20 1.25 4.81 0.11 0.84 114.58 123.61 2jqg h GLU 87 Ca 0.22 -0.12 -0.02 0.00 -0.13 0.00 0.00 59.36 59.31 2jqg h GLU 87 Cb 0.22 -0.26 -0.01 0.00 0.63 0.00 0.00 28.75 29.32 2jqg h GLU 87 CO -0.02 0.88 0.02 -0.44 -0.73 0.00 0.00 179.01 178.73 2jqg h ASP 88 N 1.28 0.26 0.00 1.04 3.32 -1.11 1.01 116.42 122.22 2jqg h ASP 88 Ca 0.33 -0.03 -0.31 0.00 0.02 0.00 0.00 57.03 57.05 2jqg h ASP 88 Cb -0.05 -0.07 -0.05 0.00 0.22 0.00 0.00 39.33 39.39 2jqg h ASP 88 CO -0.06 0.29 -1.76 -0.11 -1.72 0.00 0.00 179.24 175.88 2jqg n LEU 89 N -4.39 1.90 0.16 1.55 0.00 -0.47 -4.35 117.00 111.40 2jqg n LEU 89 Ca -0.00 0.39 0.04 0.00 0.00 0.00 0.00 56.01 56.44 2jqg n LEU 89 Cb 0.17 -0.88 0.16 0.00 0.00 0.00 0.00 43.42 42.86 2jqg n LEU 89 CO 0.36 0.33 0.55 0.71 0.00 0.00 0.00 177.39 179.34 2jqg h THR 90 N -1.00 0.90 -1.42 1.96 1.35 0.58 -3.47 112.91 111.81 2jqg h THR 90 Ca -0.46 -1.96 -0.27 0.00 -0.55 0.00 0.00 66.41 63.16 2jqg h THR 90 Cb 1.37 2.23 -0.05 0.00 -1.73 0.00 0.00 68.15 69.97 2jqg h THR 90 CO -0.28 0.46 -0.31 0.61 -0.25 0.00 0.00 175.52 175.75 2jqg n GLY 91 N 0.80 0.43 0.01 5.82 0.00 0.35 -4.89 105.19 107.71 2jqg n GLY 91 Ca 0.01 -0.35 0.08 0.00 0.00 0.00 0.00 46.02 45.76 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 -1.76 0.16 -2.19 0.99 -0.00 -1.25 -5.02 117.00 107.93 2jqg n LEU 92 Ca -0.15 -0.10 0.00 0.00 -0.00 0.00 0.00 56.01 55.76 2jqg n LEU 92 Cb 0.55 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.97 2jqg n LEU 92 CO 0.19 0.04 -0.46 1.21 -0.00 0.00 0.00 177.39 178.37 2jqg n GLU 93 N -1.95 -5.20 -0.60 1.47 2.13 -1.26 -5.00 120.64 110.24 2jqg n GLU 93 Ca -0.02 3.70 -0.01 0.00 0.66 0.00 0.00 57.16 61.49 2jqg n GLU 93 Cb 0.40 -4.28 -0.01 0.00 0.27 0.00 0.00 31.44 27.83 2jqg n GLU 93 CO 0.00 0.00 0.00 1.47 -0.41 0.00 0.00 177.13 178.19 2jqg n LEU 94 N 1.92 -0.12 -0.45 4.31 -0.00 -1.26 -4.89 117.00 116.51 2jqg n LEU 94 Ca 0.00 -1.17 0.41 0.00 -0.00 0.00 0.00 56.01 55.24 2jqg n LEU 94 Cb 0.00 0.00 0.70 0.00 -0.00 0.00 0.00 43.42 44.12 2jqg n LEU 94 CO 0.00 0.96 1.38 1.12 -0.00 0.00 0.00 177.39 180.85 2jqg h HIS 95 N 0.03 0.00 -0.45 1.47 2.07 -1.94 1.19 115.15 117.51 2jqg h HIS 95 Ca -0.09 0.00 -0.33 0.00 -2.85 0.00 0.00 60.37 57.10 2jqg h HIS 95 Cb 1.14 0.00 -0.27 0.00 2.57 0.00 0.00 27.41 30.85 2jqg h HIS 95 CO -0.21 0.00 -0.70 -0.85 -3.07 0.00 0.00 177.93 173.10 2jqg n GLU 96 N -3.77 2.80 0.00 5.12 0.28 -1.26 -4.86 120.64 118.95 2jqg n GLU 96 Ca 0.33 -3.82 0.00 0.00 -0.16 0.00 0.00 57.16 53.51 2jqg n GLU 96 Cb 1.65 -2.00 0.00 0.00 1.43 0.00 0.00 31.44 32.52 2jqg n GLU 96 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2jqg n GLY 97 N -0.86 2.79 2.69 -1.84 0.00 0.41 -4.94 105.19 103.45 2jqg n GLY 97 Ca 0.34 -0.08 -0.06 0.00 0.00 0.00 0.00 46.02 46.22 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 -0.92 0.00 -0.02 0.00 -1.25 -4.29 105.19 98.71 2jqg n GLY 98 Ca 0.00 0.62 0.00 0.00 0.00 0.00 0.00 46.02 46.64 2jqg n GLY 98 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2jqg n PRO 99 N 1.03 0.00 0.27 1.61 -0.04 -1.26 -4.52 135.00 132.09 2jqg n PRO 99 Ca 0.02 0.00 0.18 0.00 -0.04 0.00 0.00 63.50 63.66 2jqg n PRO 99 Cb 0.71 0.00 0.96 0.00 -0.04 0.00 0.00 33.50 35.13 2jqg n PRO 99 CO 0.00 0.00 0.00 -1.00 -0.04 0.00 0.00 175.50 174.46 2jqg h PRO 100 N 0.00 0.00 -2.31 0.54 0.13 -1.96 -3.29 132.00 125.10 2jqg h PRO 100 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2jqg h PRO 100 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 2jqg h PRO 100 CO 0.00 0.00 0.04 0.00 -0.23 0.00 0.00 178.00 177.81 2jqg n ALA 101 N -1.96 0.00 -0.02 -0.56 0.00 -1.26 -3.32 120.51 113.39 2jqg n ALA 101 Ca -0.02 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.38 2jqg n ALA 101 Cb 0.06 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.51 2jqg n ALA 101 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2jqg n LEU 102 N 1.47 0.03 -0.10 0.00 4.77 -1.26 -4.48 117.00 117.44 2jqg n LEU 102 Ca 0.00 0.00 -0.06 0.00 -0.03 0.00 0.00 56.01 55.92 2jqg n LEU 102 Cb 0.02 -0.06 0.01 0.00 -2.33 0.00 0.00 43.42 41.06 2jqg n LEU 102 CO 0.02 -0.02 0.93 0.58 -1.33 0.00 0.00 177.39 177.58 2jqg h VAL 103 N 0.00 0.90 -0.74 4.08 2.07 -1.62 0.77 116.25 121.71 2jqg h VAL 103 Ca 0.00 -0.09 -0.05 0.00 0.82 0.00 0.00 66.70 67.38 2jqg h VAL 103 Cb 0.00 0.61 -0.03 0.00 -1.52 0.00 0.00 31.29 30.35 2jqg h VAL 103 CO 0.00 0.05 0.27 0.40 0.02 0.00 0.00 177.57 178.30 2jqg h ILE 104 N 0.26 1.25 -0.52 4.57 1.08 -1.69 -0.91 117.51 121.56 2jqg h ILE 104 Ca 0.16 -0.84 -0.04 0.00 -0.39 0.00 0.00 64.86 63.75 2jqg h ILE 104 Cb 0.13 0.40 -0.02 0.00 -3.07 0.00 0.00 36.82 34.26 2jqg h ILE 104 CO -0.16 0.34 0.16 -0.25 -0.69 0.00 0.00 178.15 177.54 2jqg h TRP 105 N 1.08 0.78 0.00 1.37 7.01 -0.99 -3.02 115.95 122.17 2jqg h TRP 105 Ca 0.24 -0.05 -0.08 0.00 2.11 0.00 0.00 58.89 61.11 2jqg h TRP 105 Cb 0.25 -0.23 -0.01 0.00 -2.10 0.00 0.00 29.16 27.06 2jqg h TRP 105 CO 0.02 0.63 -0.76 -0.91 -2.79 0.00 0.00 178.44 174.64 2jqg h ASN 106 N 0.75 0.00 0.58 2.65 -0.26 0.93 -3.30 115.58 116.93 2jqg h ASN 106 Ca 0.17 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.91 2jqg h ASN 106 Cb 0.22 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.48 2jqg h ASN 106 CO -0.01 0.32 0.00 -0.38 -1.06 0.00 0.00 177.43 176.30 2jqg n ILE 107 N -2.99 0.91 -0.27 2.81 2.08 -0.39 -4.20 119.36 117.30 2jqg n ILE 107 Ca -0.01 0.23 -0.05 0.00 0.56 0.00 0.00 62.75 63.47 2jqg n ILE 107 Cb 0.68 -1.00 -0.03 0.00 -0.75 0.00 0.00 39.64 38.54 2jqg n ILE 107 CO 0.00 0.00 0.00 0.29 0.56 0.00 0.00 176.55 177.40 2jqg n LYS 108 N -1.65 -0.25 0.00 0.38 5.02 -1.25 0.32 118.16 120.74 2jqg n LYS 108 Ca 0.03 1.02 0.09 0.00 -2.02 0.00 0.00 58.31 57.44 2jqg n LYS 108 Cb 0.19 -1.51 0.41 0.00 -0.02 0.00 0.00 35.03 34.10 2jqg n LYS 108 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 2jqg n HIS 109 N -4.89 0.00 0.21 2.13 8.25 -1.26 -2.36 115.22 117.30 2jqg n HIS 109 Ca 0.03 0.00 0.07 0.00 -0.26 0.00 0.00 57.72 57.56 2jqg n HIS 109 Cb 0.21 -0.48 -0.10 0.00 1.12 0.00 0.00 29.99 30.73 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 -1.48 0.21 -4.45 2.41 7.99 0.54 -4.92 117.00 117.30 2jqg n LEU 110 Ca 0.05 -0.16 -0.34 0.00 -0.01 0.00 0.00 56.01 55.55 2jqg n LEU 110 Cb 0.21 0.00 -0.13 0.00 -0.11 0.00 0.00 43.42 43.40 2jqg n LEU 110 CO 0.17 0.05 -0.36 -0.22 -1.51 0.00 0.00 177.39 175.53 2jqg s LEU 111 N -3.59 3.16 -0.79 2.23 1.98 0.97 -4.97 118.68 117.67 2jqg s LEU 111 Ca -0.02 -0.19 0.02 0.00 -2.89 0.00 0.00 54.13 51.05 2jqg s LEU 111 Cb 0.10 -1.77 0.22 0.00 0.66 0.00 0.00 46.19 45.39 2jqg s LEU 111 CO 0.60 0.12 0.73 0.00 -1.89 0.00 0.00 176.35 175.92 2jqg n HIS 112 N 3.84 3.62 -4.40 5.38 1.44 -1.26 -4.51 115.22 119.32 2jqg n HIS 112 Ca -0.17 -4.09 -0.20 0.00 -2.01 0.00 0.00 57.72 51.24 2jqg n HIS 112 Cb 0.52 -0.83 -0.15 0.00 0.12 0.00 0.00 29.99 29.65 2jqg n HIS 112 CO 0.00 0.00 0.00 0.99 -2.81 0.00 0.00 176.34 174.52 2jqg s THR 113 N -1.79 0.79 -0.57 0.61 2.01 -1.26 -5.05 115.64 110.38 2jqg s THR 113 Ca 0.30 -0.38 -0.28 0.00 0.31 0.00 0.00 61.69 61.65 2jqg s THR 113 Cb 0.00 -0.70 0.01 0.00 0.01 0.00 0.00 72.50 71.82 2jqg s THR 113 CO -0.10 0.24 1.46 -0.83 -0.69 0.00 0.00 174.62 174.70 2jqg s GLY 114 N 0.13 0.82 0.13 4.40 0.00 -1.26 -4.94 107.32 106.61 2jqg s GLY 114 Ca -0.02 -0.70 -0.14 0.00 0.00 0.00 0.00 44.72 43.87 2jqg s GLY 114 CO 0.00 2.86 0.52 -0.42 0.00 0.00 0.00 173.10 176.07 2jqg s ILE 115 N 6.34 4.89 0.00 0.90 -1.09 -1.26 0.17 121.20 131.15 2jqg s ILE 115 Ca 0.53 0.78 0.00 0.00 -2.23 0.00 0.00 60.65 59.73 2jqg s ILE 115 Cb -0.11 -3.72 0.00 0.00 -1.58 0.00 0.00 42.46 37.04 2jqg s ILE 115 CO 0.24 0.26 0.00 0.61 -1.23 0.00 0.00 174.94 174.82 2jqg n GLY 116 N 0.86 3.63 2.10 6.18 0.00 -0.81 -4.82 105.19 112.33 2jqg n GLY 116 Ca -0.06 -0.33 0.02 0.00 0.00 0.00 0.00 46.02 45.66 2jqg n GLY 116 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2jqg n THR 117 N 0.00 0.00 -0.13 2.61 -2.24 0.13 -4.46 114.28 110.20 2jqg n THR 117 Ca 0.00 -0.03 -0.11 0.00 -2.27 0.00 0.00 64.05 61.64 2jqg n THR 117 Cb 0.00 0.27 -0.02 0.00 -2.10 0.00 0.00 70.33 68.48 2jqg n THR 117 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2jqg h ALA 118 N 2.00 0.50 -0.55 6.98 0.00 -1.82 -2.81 119.26 123.55 2jqg h ALA 118 Ca -0.10 -0.28 -0.07 0.00 0.00 0.00 0.00 54.91 54.46 2jqg h ALA 118 Cb 0.61 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 2jqg h ALA 118 CO 0.15 0.31 0.08 0.77 0.00 0.00 0.00 179.25 180.57 2jqg h SER 119 N 0.48 0.85 -3.62 0.00 0.02 -1.94 -3.37 113.55 105.97 2jqg h SER 119 Ca 0.10 -0.18 -0.64 0.00 -0.84 0.00 0.00 61.79 60.23 2jqg h SER 119 Cb 0.53 -0.22 -0.39 0.00 0.14 0.00 0.00 62.40 62.46 2jqg h SER 119 CO 0.03 0.86 -0.76 -0.60 -1.14 0.00 0.00 176.83 175.23 2jqg s ARG 120 N -5.13 1.53 0.18 3.45 6.06 -1.08 -5.07 118.95 118.89 2jqg s ARG 120 Ca -0.10 -1.45 -0.31 0.00 -2.50 0.00 0.00 55.73 51.37 2jqg s ARG 120 Cb 0.15 -2.81 -0.10 0.00 0.06 0.00 0.00 34.95 32.25 2jqg s ARG 120 CO 0.82 -0.80 1.51 -1.25 -2.50 0.00 0.00 175.30 173.07 2jqg s PRO 121 N 1.16 4.24 0.00 5.12 0.04 -1.12 0.21 135.00 144.67 2jqg s PRO 121 Ca 0.03 2.30 0.00 0.00 0.04 0.00 0.00 61.00 63.37 2jqg s PRO 121 Cb -0.19 -3.16 0.00 0.00 0.04 0.00 0.00 34.50 31.19 2jqg s PRO 121 CO -0.10 -0.54 0.00 0.43 0.04 0.00 0.00 177.00 176.84 2jqg n SER 122 N 3.59 0.00 -0.20 6.66 7.64 -1.26 -4.85 113.62 125.20 2jqg n SER 122 Ca 0.12 -0.89 -0.08 0.00 1.01 0.00 0.00 58.87 59.03 2jqg n SER 122 Cb 0.39 0.00 0.02 0.00 -1.01 0.00 0.00 64.21 63.62 2jqg n SER 122 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 2jqg h GLU 123 N 0.00 0.82 -2.73 1.43 4.39 0.14 -3.36 114.58 115.28 2jqg h GLU 123 Ca 0.00 -0.15 -0.16 0.00 0.34 0.00 0.00 59.36 59.39 2jqg h GLU 123 Cb 0.00 -0.13 -0.30 0.00 -0.10 0.00 0.00 28.75 28.22 2jqg h GLU 123 CO 0.00 0.71 -0.45 0.14 -1.16 0.00 0.00 179.01 178.26 2jqg s VAL 124 N -5.56 -0.42 0.00 3.13 -7.23 -1.13 -4.12 120.40 105.07 2jqg s VAL 124 Ca -0.13 0.21 0.00 0.00 -1.81 0.00 0.00 61.98 60.25 2jqg s VAL 124 Cb 0.12 -0.53 0.00 0.00 0.56 0.00 0.00 36.38 36.53 2jqg s VAL 124 CO 0.79 0.09 0.00 0.00 -0.31 0.00 0.00 175.10 175.66 2jqg n VAL 126 N -1.09 0.00 0.00 0.00 0.31 -0.19 -2.95 118.33 114.41 2jqg n VAL 126 Ca 0.00 -0.04 0.00 0.00 -0.01 0.00 0.00 64.34 64.29 2jqg n VAL 126 Cb 0.00 0.14 0.00 0.00 -0.91 0.00 0.00 33.84 33.07 2jqg n VAL 126 CO 0.00 0.00 0.00 1.33 -1.32 0.00 0.00 176.83 176.84 2jqg n VAL 127 N -0.22 0.00 -0.04 2.52 0.24 -1.06 -4.05 118.33 115.72 2jqg n VAL 127 Ca 0.01 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.31 2jqg n VAL 127 Cb 0.14 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.51 2jqg n VAL 127 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 2jqg n ASP 128 N 0.00 0.00 0.00 -1.34 2.03 -1.26 -2.74 116.55 113.24 2jqg n ASP 128 Ca 0.00 -1.56 0.00 0.00 0.52 0.00 0.00 54.79 53.75 2jqg n ASP 128 Cb 0.00 -0.23 0.00 0.00 -0.72 0.00 0.00 41.12 40.17 2jqg n ASP 128 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2jqg n GLY 129 N 3.34 1.21 3.51 0.27 0.00 -1.26 -5.05 105.19 107.20 2jqg n GLY 129 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.00 2.87 0.91 2.61 2.01 -1.11 -5.06 115.64 115.87 2jqg s THR 130 Ca 0.00 -1.80 -0.11 0.00 0.31 0.00 0.00 61.69 60.09 2jqg s THR 130 Cb 0.00 -2.41 0.13 0.00 0.01 0.00 0.00 72.50 70.23 2jqg s THR 130 CO 0.00 -0.11 1.04 -0.67 -0.69 0.00 0.00 174.62 174.19 2jqg n ASP 131 N 0.13 0.02 -4.19 3.53 2.03 -1.26 -4.71 116.55 112.10 2jqg n ASP 131 Ca -0.11 0.42 -0.28 0.00 0.52 0.00 0.00 54.79 55.34 2jqg n ASP 131 Cb 0.56 -1.44 -0.16 0.00 -0.72 0.00 0.00 41.12 39.36 2jqg n ASP 131 CO 0.00 0.00 0.00 -0.04 -1.92 0.00 0.00 177.20 175.24 2jqg s MET 132 N -4.43 1.98 -0.02 -0.67 -1.94 -1.26 -4.85 119.30 108.11 2jqg s MET 132 Ca 0.66 -0.73 0.01 0.00 -1.71 0.00 0.00 55.69 53.92 2jqg s MET 132 Cb -0.23 -1.75 0.01 0.00 2.01 0.00 0.00 34.83 34.87 2jqg s MET 132 CO 0.59 0.33 -0.02 0.00 -0.01 0.00 0.00 175.02 175.91 2jqg h LEU 134 N 6.68 0.90 0.00 0.00 7.12 -1.96 -1.02 115.31 127.03 2jqg h LEU 134 Ca -0.35 -0.02 0.00 0.00 0.13 0.00 0.00 57.88 57.64 2jqg h LEU 134 Cb 1.16 -0.22 0.00 0.00 -0.53 0.00 0.00 40.66 41.07 2jqg h LEU 134 CO 0.49 0.65 0.00 0.00 -0.13 0.00 0.00 178.44 179.45 2jqg n ALA 135 N -2.32 2.23 0.06 1.25 0.00 -1.26 -3.95 120.51 116.53 2jqg n ALA 135 Ca 0.08 -0.12 -0.03 0.00 0.00 0.00 0.00 53.44 53.37 2jqg n ALA 135 Cb 0.02 -1.31 -0.01 0.00 0.00 0.00 0.00 19.45 18.15 2jqg n ALA 135 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 2jqg h ASP 136 N 0.00 -0.17 -5.57 0.00 3.58 -1.60 -3.50 116.42 109.17 2jqg h ASP 136 Ca 0.00 0.01 -0.30 0.00 0.42 0.00 0.00 57.03 57.16 2jqg h ASP 136 Cb 0.00 0.04 -0.09 0.00 1.72 0.00 0.00 39.33 41.00 2jqg h ASP 136 CO 0.00 0.02 -0.24 0.72 -2.88 0.00 0.00 179.24 176.86 2jqg s PHE 137 N -2.25 1.15 -0.41 0.28 -0.12 -1.25 -4.52 117.98 110.86 2jqg s PHE 137 Ca -0.03 -1.34 0.07 0.00 -0.05 0.00 0.00 56.93 55.58 2jqg s PHE 137 Cb 0.00 -0.17 0.23 0.00 -0.63 0.00 0.00 43.02 42.45 2jqg s PHE 137 CO 0.09 -1.09 0.53 0.72 -0.05 0.00 0.00 175.22 175.42 2jqg n HIS 138 N -0.56 -0.99 0.00 3.49 8.25 -0.95 -4.18 115.22 120.28 2jqg n HIS 138 Ca 0.02 -3.20 0.00 0.00 -0.26 0.00 0.00 57.72 54.28 2jqg n HIS 138 Cb 0.62 0.09 0.00 0.00 1.12 0.00 0.00 29.99 31.81 2jqg n HIS 138 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2jqg n ALA 139 N 1.82 0.00 0.00 -1.41 0.00 -0.19 -0.00 120.51 120.74 2jqg n ALA 139 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.66 2jqg n ALA 139 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.98 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 -0.41 0.31 3.71 0.00 0.00 -1.11 0.46 105.19 108.15 2jqg n GLY 140 Ca 0.00 -1.80 -0.36 0.00 0.00 0.00 0.00 46.02 43.86 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 -1.58 5.37 -0.04 -0.61 -1.09 -0.73 -3.84 121.20 118.68 2jqg s ILE 141 Ca 0.00 0.30 0.02 0.00 -2.23 0.00 0.00 60.65 58.74 2jqg s ILE 141 Cb 0.00 -3.53 -0.03 0.00 -1.58 0.00 0.00 42.46 37.32 2jqg s ILE 141 CO 0.00 0.40 -0.09 -0.36 -1.23 0.00 0.00 174.94 173.67 2jqg s PHE 142 N 0.56 2.86 -0.46 3.97 0.40 -1.18 -0.72 117.98 123.41 2jqg s PHE 142 Ca 0.10 -0.04 -0.23 0.00 -0.60 0.00 0.00 56.93 56.17 2jqg s PHE 142 Cb -0.12 -1.65 0.03 0.00 0.51 0.00 0.00 43.02 41.78 2jqg s PHE 142 CO 0.01 0.32 0.77 -0.51 0.70 0.00 0.00 175.22 176.51 2jqg s LEU 143 N -1.02 4.31 -0.23 -0.37 2.01 0.36 -3.22 118.68 120.52 2jqg s LEU 143 Ca 0.14 -0.20 -0.06 0.00 0.01 0.00 0.00 54.13 54.02 2jqg s LEU 143 Cb -0.11 -2.90 -0.02 0.00 0.01 0.00 0.00 46.19 43.18 2jqg s LEU 143 CO 0.03 -0.93 0.02 -0.75 1.01 0.00 0.00 176.35 175.73 2jqg s LYS 144 N 3.26 3.53 4.90 1.70 2.20 -1.23 -4.84 119.74 129.26 2jqg s LYS 144 Ca 0.28 -0.54 0.00 0.00 -0.36 0.00 0.00 55.97 55.35 2jqg s LYS 144 Cb -0.13 -3.17 0.00 0.00 -1.51 0.00 0.00 37.83 33.02 2jqg s LYS 144 CO 0.21 -0.18 0.00 0.41 -0.36 0.00 0.00 175.35 175.43 2jqg n GLY 145 N 4.83 2.76 3.26 5.54 0.00 -1.26 -4.16 105.19 116.16 2jqg n GLY 145 Ca -0.17 -0.28 -0.22 0.00 0.00 0.00 0.00 46.02 45.35 2jqg n GLY 145 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2jqg s GLN 146 N 0.00 1.07 -1.45 1.61 -0.21 -1.26 -4.75 119.66 114.66 2jqg s GLN 146 Ca 0.00 -1.14 -0.12 0.00 0.02 0.00 0.00 55.36 54.12 2jqg s GLN 146 Cb 0.00 -1.24 0.08 0.00 1.00 0.00 0.00 33.01 32.86 2jqg s GLN 146 CO 0.00 0.28 0.70 0.39 -2.12 0.00 0.00 175.29 174.54 2jqg n GLU 147 N 1.02 -4.20 -3.70 2.91 1.02 -1.26 -4.94 120.64 111.49 2jqg n GLU 147 Ca -0.19 0.54 -0.16 0.00 -0.02 0.00 0.00 57.16 57.33 2jqg n GLU 147 Cb 0.54 -5.33 -0.16 0.00 -0.02 0.00 0.00 31.44 26.48 2jqg n GLU 147 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 2jqg s HIS 148 N -3.12 -0.14 -0.12 -0.32 3.76 -1.26 -5.10 115.29 108.99 2jqg s HIS 148 Ca 0.53 0.51 -0.04 0.00 -0.15 0.00 0.00 55.06 55.90 2jqg s HIS 148 Cb -0.27 -0.23 -0.04 0.00 1.11 0.00 0.00 32.58 33.15 2jqg s HIS 148 CO 0.65 -0.22 0.03 0.00 -0.85 0.00 0.00 174.74 174.35 2jqg s ALA 149 N 1.87 3.37 0.27 -1.40 0.00 -1.26 -3.57 121.76 121.04 2jqg s ALA 149 Ca -0.01 -0.77 0.05 0.00 0.00 0.00 0.00 51.96 51.23 2jqg s ALA 149 Cb -0.12 -1.67 -0.06 0.00 0.00 0.00 0.00 23.12 21.27 2jqg s ALA 149 CO -0.05 0.45 -0.02 0.14 0.00 0.00 0.00 175.76 176.27 2jqg s VAL 150 N -0.44 1.37 -0.13 0.00 -7.23 -1.20 -4.55 120.40 108.21 2jqg s VAL 150 Ca 0.09 -2.07 -0.06 0.00 -1.81 0.00 0.00 61.98 58.13 2jqg s VAL 150 Cb -0.12 -2.46 0.06 0.00 0.56 0.00 0.00 36.38 34.42 2jqg s VAL 150 CO 0.02 -0.27 0.30 0.12 -0.31 0.00 0.00 175.10 174.96 2jqg s PHE 151 N -3.19 -0.46 0.19 2.82 5.36 -1.26 -3.09 117.98 118.35 2jqg s PHE 151 Ca 0.30 1.02 0.03 0.00 -0.96 0.00 0.00 56.93 57.32 2jqg s PHE 151 Cb 0.05 0.08 -0.05 0.00 -0.34 0.00 0.00 43.02 42.76 2jqg s PHE 151 CO 0.11 -0.32 -0.01 0.00 -1.46 0.00 0.00 175.22 173.53 2jqg s ALA 152 N 1.86 1.56 -0.02 11.12 0.00 -1.25 -1.04 121.76 134.00 2jqg s ALA 152 Ca -0.05 -1.65 -0.29 0.00 0.00 0.00 0.00 51.96 49.97 2jqg s ALA 152 Cb -0.11 0.45 0.10 0.00 0.00 0.00 0.00 23.12 23.57 2jqg s ALA 152 CO -0.10 -0.26 1.29 0.00 0.00 0.00 0.00 175.76 176.69 2jqg s VAL 154 N -2.14 3.16 0.00 0.00 1.01 1.00 -2.56 120.40 120.87 2jqg s VAL 154 Ca 0.24 0.12 0.00 0.00 0.00 0.00 0.00 61.98 62.34 2jqg s VAL 154 Cb 0.01 -3.33 0.00 0.00 0.00 0.00 0.00 36.38 33.07 2jqg s VAL 154 CO -0.02 -0.28 0.00 0.35 0.00 0.00 0.00 175.10 175.15 2jqg n THR 155 N 7.68 0.00 0.30 3.92 -2.24 0.99 -0.22 114.28 124.72 2jqg n THR 155 Ca 0.30 0.00 0.19 0.00 -2.27 0.00 0.00 64.05 62.27 2jqg n THR 155 Cb 0.51 -1.56 0.99 0.00 -2.10 0.00 0.00 70.33 68.17 2jqg n THR 155 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 2jqg h SER 156 N 0.00 0.00 -0.10 3.42 4.64 -1.68 -0.97 113.55 118.86 2jqg h SER 156 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2jqg h SER 156 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2jqg h SER 156 CO 0.00 0.00 0.00 0.59 -0.87 0.00 0.00 176.83 176.55 2jqg n ASN 157 N -2.87 2.13 0.00 4.97 3.02 -1.26 -5.03 115.26 116.22 2jqg n ASN 157 Ca -0.02 -1.58 0.00 0.00 -0.03 0.00 0.00 54.58 52.95 2jqg n ASN 157 Cb 0.10 -0.06 0.00 0.00 -0.61 0.00 0.00 39.78 39.21 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 0.54 1.34 3.56 7.41 0.00 -0.37 -4.82 105.19 112.85 2jqg n GLY 158 Ca 0.07 -0.87 -0.20 0.00 0.00 0.00 0.00 46.02 45.03 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 1.16 0.13 1.61 0.51 -1.26 -0.00 118.94 121.08 2jqg s TRP 159 Ca 0.00 1.82 -0.06 0.00 -2.12 0.00 0.00 56.10 55.74 2jqg s TRP 159 Cb 0.00 -3.51 -0.02 0.00 -0.81 0.00 0.00 33.47 29.14 2jqg s TRP 159 CO 0.00 -1.81 0.18 0.71 -0.51 0.00 0.00 176.95 175.52 2jqg s TYR 160 N 13.92 0.45 -0.04 -1.98 1.51 -0.79 -1.82 117.35 128.61 2jqg s TYR 160 Ca 0.92 -0.85 0.01 0.00 -1.01 0.00 0.00 57.07 56.14 2jqg s TYR 160 Cb -0.14 -0.18 0.02 0.00 -0.11 0.00 0.00 41.96 41.55 2jqg s TYR 160 CO 0.12 -0.60 -0.04 0.00 -1.11 0.00 0.00 175.55 173.91 2jqg s ALA 161 N -3.95 0.62 -0.46 3.71 0.00 0.12 0.69 121.76 122.49 2jqg s ALA 161 Ca 0.15 -0.06 0.03 0.00 0.00 0.00 0.00 51.96 52.08 2jqg s ALA 161 Cb 0.05 -0.37 0.12 0.00 0.00 0.00 0.00 23.12 22.93 2jqg s ALA 161 CO -0.03 0.01 0.21 0.96 0.00 0.00 0.00 175.76 176.91 2jqg s ILE 162 N 0.75 2.21 -0.17 0.00 -4.36 -0.21 -1.78 121.20 117.64 2jqg s ILE 162 Ca -0.10 -2.88 -0.14 0.00 -0.26 0.00 0.00 60.65 57.27 2jqg s ILE 162 Cb -0.13 -2.56 -0.05 0.00 1.25 0.00 0.00 42.46 40.98 2jqg s ILE 162 CO 0.00 -0.77 0.30 -1.81 0.24 0.00 0.00 174.94 172.90 2jqg s ASP 163 N 0.16 6.42 -0.36 4.36 1.01 -1.12 -4.69 116.67 122.45 2jqg s ASP 163 Ca 0.16 0.49 -0.33 0.00 0.71 0.00 0.00 52.55 53.57 2jqg s ASP 163 Cb -0.24 -2.19 -0.14 0.00 1.01 0.00 0.00 42.92 41.36 2jqg s ASP 163 CO -0.03 0.07 1.24 -0.67 0.21 0.00 0.00 175.17 175.99 2jqg n ASP 164 N 3.77 0.79 0.00 0.27 2.03 -1.24 -1.14 116.55 121.03 2jqg n ASP 164 Ca -0.11 0.77 0.00 0.00 0.52 0.00 0.00 54.79 55.96 2jqg n ASP 164 Cb 0.52 -0.64 0.00 0.00 -0.72 0.00 0.00 41.12 40.28 2jqg n ASP 164 CO 0.00 0.00 0.00 1.21 -1.92 0.00 0.00 177.20 176.49 2jqg n GLU 165 N 3.47 0.00 -3.55 -0.67 4.07 -1.26 -1.16 120.64 121.54 2jqg n GLU 165 Ca 0.26 0.00 -0.07 0.00 -0.06 0.00 0.00 57.16 57.30 2jqg n GLU 165 Cb -0.04 0.00 -0.02 0.00 -0.06 0.00 0.00 31.44 31.32 2jqg n GLU 165 CO 0.00 0.00 0.00 0.16 -0.06 0.00 0.00 177.13 177.23 2jqg s ASP 166 N 0.00 -0.29 -0.23 4.31 1.47 -0.29 -4.96 116.67 116.69 2jqg s ASP 166 Ca 0.00 -0.04 -0.06 0.00 1.18 0.00 0.00 52.55 53.63 2jqg s ASP 166 Cb 0.00 0.33 -0.03 0.00 -0.34 0.00 0.00 42.92 42.89 2jqg s ASP 166 CO 0.00 -0.55 0.04 -0.36 0.68 0.00 0.00 175.17 174.98 2jqg s PHE 167 N -2.96 3.07 0.07 2.11 0.08 -1.26 -2.80 117.98 116.29 2jqg s PHE 167 Ca 0.07 -0.46 -0.03 0.00 0.12 0.00 0.00 56.93 56.63 2jqg s PHE 167 Cb -0.01 -2.17 -0.03 0.00 -0.57 0.00 0.00 43.02 40.24 2jqg s PHE 167 CO -0.07 -0.31 0.03 1.52 -0.10 0.00 0.00 175.22 176.29 2jqg s TYR 168 N 1.33 0.47 -0.26 0.36 1.13 -0.73 -4.97 117.35 114.67 2jqg s TYR 168 Ca 0.05 -0.97 -0.29 0.00 -1.41 0.00 0.00 57.07 54.44 2jqg s TYR 168 Cb -0.15 -0.32 -0.02 0.00 -1.10 0.00 0.00 41.96 40.37 2jqg s TYR 168 CO 0.02 -0.43 1.65 -1.25 -2.51 0.00 0.00 175.55 173.03 2jqg s PRO 169 N -3.92 3.68 0.21 -3.49 0.04 -1.26 0.14 135.00 130.39 2jqg s PRO 169 Ca 0.08 1.57 -0.03 0.00 0.04 0.00 0.00 61.00 62.66 2jqg s PRO 169 Cb 0.07 -4.07 -0.03 0.00 0.04 0.00 0.00 34.50 30.51 2jqg s PRO 169 CO -0.09 -1.44 0.20 -1.58 0.04 0.00 0.00 177.00 174.13 2jqg s TRP 170 N 5.61 0.98 -0.54 0.56 0.52 -0.75 -4.80 118.94 120.50 2jqg s TRP 170 Ca 0.73 -1.23 -0.16 0.00 0.02 0.00 0.00 56.10 55.46 2jqg s TRP 170 Cb -0.24 -0.40 0.13 0.00 -1.15 0.00 0.00 33.47 31.81 2jqg s TRP 170 CO 0.31 -0.71 0.50 0.95 0.02 0.00 0.00 176.95 178.02 2jqg s THR 171 N -4.12 5.18 -0.72 2.01 -4.23 -1.26 -1.88 115.64 110.61 2jqg s THR 171 Ca 0.35 -1.53 -0.06 0.00 -1.18 0.00 0.00 61.69 59.27 2jqg s THR 171 Cb 0.05 -4.32 -0.13 0.00 1.34 0.00 0.00 72.50 69.44 2jqg s THR 171 CO 0.11 -0.87 2.71 -0.81 -0.54 0.00 0.00 174.62 175.22 2jqg n PRO 172 N 5.21 2.32 -3.54 3.99 -0.04 -1.26 -4.82 135.00 136.86 2jqg n PRO 172 Ca -0.13 -1.37 -0.21 0.00 -0.04 0.00 0.00 63.50 61.75 2jqg n PRO 172 Cb 0.40 -2.31 -0.03 0.00 -0.04 0.00 0.00 33.50 31.53 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 3.34 2.64 -1.07 3.54 9.92 -1.26 -1.02 116.55 132.64 2jqg n ASP 173 Ca 0.49 -2.45 0.00 0.00 -0.53 0.00 0.00 54.79 52.30 2jqg n ASP 173 Cb 0.41 0.12 0.00 0.00 -0.64 0.00 0.00 41.12 41.02 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 -1.12 0.99 0.07 -0.24 -0.04 -1.26 -4.25 135.00 129.15 2jqg n PRO 174 Ca -0.09 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.24 2jqg n PRO 174 Cb 0.44 -1.00 -0.08 0.00 -0.04 0.00 0.00 33.50 32.82 2jqg n PRO 174 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2jqg h SER 175 N 0.16 -0.11 0.00 3.54 0.87 -1.92 -3.36 113.55 112.73 2jqg h SER 175 Ca 0.00 -0.14 0.00 0.00 -1.23 0.00 0.00 61.79 60.42 2jqg h SER 175 Cb 0.99 0.03 0.00 0.00 -0.44 0.00 0.00 62.40 62.98 2jqg h SER 175 CO 0.00 0.07 -0.12 0.47 -0.53 0.00 0.00 176.83 176.72 2jqg n ASP 176 N -5.07 0.87 -4.95 6.23 8.00 -1.26 -5.07 116.55 115.30 2jqg n ASP 176 Ca -0.08 -1.82 -0.19 0.00 0.71 0.00 0.00 54.79 53.41 2jqg n ASP 176 Cb 0.15 -0.12 -0.01 0.00 -0.02 0.00 0.00 41.12 41.12 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 -0.71 3.21 0.00 2.53 0.11 -1.26 0.14 120.40 124.41 2jqg s VAL 177 Ca 0.05 -1.14 0.00 0.00 -2.93 0.00 0.00 61.98 57.96 2jqg s VAL 177 Cb 0.05 -3.11 0.00 0.00 -1.53 0.00 0.00 36.38 31.79 2jqg s VAL 177 CO 0.00 -0.06 0.00 0.18 -3.33 0.00 0.00 175.10 171.90 2jqg n LEU 178 N -1.66 0.00 -4.73 2.54 7.99 0.10 -4.43 117.00 116.81 2jqg n LEU 178 Ca 0.04 0.00 -0.41 0.00 -0.01 0.00 0.00 56.01 55.63 2jqg n LEU 178 Cb 0.60 0.00 -0.05 0.00 -0.11 0.00 0.00 43.42 43.86 2jqg n LEU 178 CO 0.41 0.00 0.63 0.68 -1.51 0.00 0.00 177.39 177.60 2jqg s VAL 179 N 0.51 4.47 0.39 4.08 -7.23 -1.26 -1.02 120.40 120.35 2jqg s VAL 179 Ca 0.00 2.01 0.03 0.00 -1.81 0.00 0.00 61.98 62.21 2jqg s VAL 179 Cb 0.00 -4.29 -0.01 0.00 0.56 0.00 0.00 36.38 32.63 2jqg s VAL 179 CO 0.00 0.35 0.11 2.22 -0.31 0.00 0.00 175.10 177.47 2jqg n PHE 180 N 2.60 0.28 -3.90 2.82 -1.74 -1.23 -1.77 117.46 114.53 2jqg n PHE 180 Ca 0.01 -2.41 -0.23 0.00 -0.56 0.00 0.00 57.45 54.27 2jqg n PHE 180 Cb 0.49 -0.05 -0.17 0.00 1.52 0.00 0.00 39.48 41.26 2jqg n PHE 180 CO 0.00 0.00 0.00 0.54 -0.56 0.00 0.00 176.76 176.74 2jqg s VAL 181 N -2.92 0.53 0.70 1.97 0.11 0.17 -2.53 120.40 118.43 2jqg s VAL 181 Ca 0.16 -0.01 -0.11 0.00 -2.93 0.00 0.00 61.98 59.09 2jqg s VAL 181 Cb 0.01 -0.63 0.01 0.00 -1.53 0.00 0.00 36.38 34.24 2jqg s VAL 181 CO 0.11 0.27 1.07 -2.16 -3.33 0.00 0.00 175.10 171.06 2jqg s PRO 182 N 1.66 2.88 0.18 1.54 0.04 -1.26 -2.23 135.00 137.81 2jqg s PRO 182 Ca 0.01 0.81 0.01 0.00 0.04 0.00 0.00 61.00 61.87 2jqg s PRO 182 Cb -0.13 -1.99 -0.00 0.00 0.04 0.00 0.00 34.50 32.41 2jqg s PRO 182 CO -0.04 -1.10 0.04 2.48 0.04 0.00 0.00 177.00 178.42 2jqg n TYR 183 N -3.11 0.20 -3.97 0.56 0.18 -1.26 -4.78 117.16 104.97 2jqg n TYR 183 Ca 0.07 -1.07 -0.11 0.00 1.88 0.00 0.00 57.90 58.66 2jqg n TYR 183 Cb 0.54 -0.05 -0.12 0.00 -0.38 0.00 0.00 39.34 39.33 2jqg n TYR 183 CO 0.00 0.00 0.00 0.34 -2.08 0.00 0.00 176.86 175.12 2jqg s ASP 184 N -2.08 0.28 0.29 9.48 2.15 -1.26 -5.04 116.67 120.49 2jqg s ASP 184 Ca 0.06 -0.29 0.06 0.00 0.43 0.00 0.00 52.55 52.81 2jqg s ASP 184 Cb 0.00 0.04 -0.06 0.00 -0.30 0.00 0.00 42.92 42.60 2jqg s ASP 184 CO 0.04 -0.14 -0.03 -1.10 -0.17 0.00 0.00 175.17 173.77 2jqg s GLN 185 N -0.82 1.56 -0.68 4.34 -0.21 -1.26 -5.09 119.66 117.51 2jqg s GLN 185 Ca -0.08 -1.81 0.05 0.00 0.02 0.00 0.00 55.36 53.54 2jqg s GLN 185 Cb -0.06 -1.07 0.25 0.00 1.00 0.00 0.00 33.01 33.14 2jqg s GLN 185 CO -0.00 -0.02 0.81 -0.85 -2.12 0.00 0.00 175.29 173.10 2jqg n GLU 186 N -0.60 2.70 -2.37 2.91 0.28 -1.26 -5.07 120.64 117.22 2jqg n GLU 186 Ca -0.05 -4.67 -0.35 0.00 -0.16 0.00 0.00 57.16 51.94 2jqg n GLU 186 Cb 0.64 -2.28 -0.01 0.00 1.43 0.00 0.00 31.44 31.22 2jqg n GLU 186 CO 0.00 0.00 0.00 -1.25 -0.16 0.00 0.00 177.13 175.72 2jqg s PRO 187 N -2.50 3.55 0.34 3.44 0.04 -1.26 -4.93 135.00 133.67 2jqg s PRO 187 Ca 0.39 1.52 0.02 0.00 0.04 0.00 0.00 61.00 62.96 2jqg s PRO 187 Cb 0.14 -2.05 0.60 0.00 0.04 0.00 0.00 34.50 33.22 2jqg s PRO 187 CO -0.00 -0.67 1.99 1.25 0.04 0.00 0.00 177.00 179.60 2jqg h LEU 188 N 1.37 0.78 -9.07 -3.56 7.12 -2.06 -3.41 115.31 106.50 2jqg h LEU 188 Ca -0.50 -0.01 -0.67 0.00 0.13 0.00 0.00 57.88 56.83 2jqg h LEU 188 Cb 1.25 -0.19 -0.19 0.00 -0.53 0.00 0.00 40.66 41.00 2jqg h LEU 188 CO 0.58 0.55 -0.67 0.20 -0.13 0.00 0.00 178.44 178.97 2jqg s ASN 189 N -6.35 4.83 -0.50 1.25 0.01 -1.26 -5.08 114.94 107.84 2jqg s ASN 189 Ca -0.10 -0.02 -0.17 0.00 -0.71 0.00 0.00 52.86 51.86 2jqg s ASN 189 Cb 0.18 -1.43 0.08 0.00 0.41 0.00 0.00 41.25 40.49 2jqg s ASN 189 CO 0.77 0.31 0.51 -0.83 -1.51 0.00 0.00 177.10 176.36 2jqg s GLY 190 N -0.47 1.93 0.13 0.66 0.00 -1.26 -5.04 107.32 103.27 2jqg s GLY 190 Ca 0.07 -2.03 0.01 0.00 0.00 0.00 0.00 44.72 42.78 2jqg s GLY 190 CO 0.02 1.26 -0.02 -0.54 0.00 0.00 0.00 173.10 173.82 2jqg s GLU 191 N 2.08 0.93 -0.04 2.90 2.02 -1.26 -5.15 118.70 120.17 2jqg s GLU 191 Ca 0.08 -1.41 -0.05 0.00 0.02 0.00 0.00 54.97 53.62 2jqg s GLU 191 Cb -0.23 -0.14 -0.04 0.00 0.10 0.00 0.00 34.13 33.82 2jqg s GLU 191 CO 0.08 -0.09 0.18 -1.58 0.02 0.00 0.00 175.26 173.87 2jqg s TRP 192 N -3.71 3.57 -0.05 1.61 0.51 -1.26 -5.10 118.94 114.52 2jqg s TRP 192 Ca 0.17 0.45 0.04 0.00 -2.12 0.00 0.00 56.10 54.65 2jqg s TRP 192 Cb 0.06 -1.89 -0.00 0.00 -0.81 0.00 0.00 33.47 30.82 2jqg s TRP 192 CO -0.01 0.67 -0.18 0.21 -0.51 0.00 0.00 176.95 177.13 2jqg s LYS 193 N -1.60 1.87 0.64 4.98 2.47 -1.26 -5.07 119.74 121.78 2jqg s LYS 193 Ca 0.23 -0.63 0.00 0.00 -1.56 0.00 0.00 55.97 54.01 2jqg s LYS 193 Cb -0.13 -1.61 0.00 0.00 -1.46 0.00 0.00 37.83 34.63 2jqg s LYS 193 CO 0.13 0.24 0.00 0.00 0.16 0.00 0.00 175.35 175.89 2jqg n ALA 194 N 3.16 -1.48 1.39 3.13 0.00 -1.26 -5.18 120.51 120.27 2jqg n ALA 194 Ca -0.18 0.12 0.14 0.00 0.00 0.00 0.00 53.44 53.52 2jqg n ALA 194 Cb 0.53 -0.47 0.43 0.00 0.00 0.00 0.00 19.45 19.94 2jqg n ALA 194 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13