#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 4.05 -0.17 0.03 -1.05 -1.26 -0.98 118.70 119.32 2jqg s GLU 30 Ca 0.00 0.20 -0.16 0.00 -0.15 0.00 0.00 54.97 54.86 2jqg s GLU 30 Cb 0.00 -3.65 -0.04 0.00 -0.44 0.00 0.00 34.13 30.00 2jqg s GLU 30 CO 0.00 -0.30 0.40 -0.51 0.95 0.00 0.00 175.26 175.80 2jqg s LEU 31 N 2.14 4.21 0.01 1.83 1.43 -0.12 -4.90 118.68 123.28 2jqg s LEU 31 Ca 0.18 0.61 -0.01 0.00 -1.03 0.00 0.00 54.13 53.88 2jqg s LEU 31 Cb -0.16 -2.53 -0.04 0.00 0.03 0.00 0.00 46.19 43.49 2jqg s LEU 31 CO 0.09 -0.01 0.14 -0.89 0.23 0.00 0.00 176.35 175.91 2jqg s THR 32 N 0.89 5.07 0.17 5.49 2.01 -1.26 -1.68 115.64 126.33 2jqg s THR 32 Ca 0.20 -0.34 -0.01 0.00 0.31 0.00 0.00 61.69 61.85 2jqg s THR 32 Cb -0.14 -3.37 -0.04 0.00 0.01 0.00 0.00 72.50 68.95 2jqg s THR 32 CO 0.07 0.29 0.09 -1.48 -0.69 0.00 0.00 174.62 172.91 2jqg s LEU 33 N -1.98 1.47 0.32 4.42 -0.00 -1.11 0.29 118.68 122.09 2jqg s LEU 33 Ca 0.27 -1.31 0.07 0.00 -0.00 0.00 0.00 54.13 53.17 2jqg s LEU 33 Cb -0.12 0.32 0.92 0.00 -0.00 0.00 0.00 46.19 47.30 2jqg s LEU 33 CO 0.18 -0.78 1.59 0.22 -0.00 0.00 0.00 176.35 177.56 2jqg h TYR 34 N 2.72 0.28 0.00 3.48 3.20 -1.24 0.11 116.97 125.52 2jqg h TYR 34 Ca -0.36 0.06 0.00 0.00 3.14 0.00 0.00 58.73 61.57 2jqg h TYR 34 Cb 1.23 0.04 0.00 0.00 1.54 0.00 0.00 36.73 39.54 2jqg h TYR 34 CO 0.40 -0.40 0.00 0.09 -1.64 0.00 0.00 178.16 176.60 2jqg n ASN 35 N -5.37 0.44 0.00 -2.11 4.13 -1.26 -4.83 115.26 106.25 2jqg n ASN 35 Ca 0.27 -1.59 0.00 0.00 1.68 0.00 0.00 54.58 54.94 2jqg n ASN 35 Cb 0.90 -0.22 0.00 0.00 -1.54 0.00 0.00 39.78 38.92 2jqg n ASN 35 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2jqg n GLY 36 N 0.19 1.81 3.74 7.41 0.00 0.37 -4.99 105.19 113.72 2jqg n GLY 36 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 2jqg n GLY 36 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2jqg s GLU 37 N -0.07 4.79 -0.23 1.61 2.12 -1.26 -4.82 118.70 120.84 2jqg s GLU 37 Ca 0.00 1.48 0.02 0.00 0.36 0.00 0.00 54.97 56.83 2jqg s GLU 37 Cb 0.00 -3.32 0.04 0.00 0.26 0.00 0.00 34.13 31.11 2jqg s GLU 37 CO 0.00 0.39 -0.14 0.15 -0.54 0.00 0.00 175.26 175.11 2jqg s LYS 38 N -0.68 2.52 -0.08 4.30 1.02 -1.26 -2.74 119.74 122.83 2jqg s LYS 38 Ca 0.44 -1.14 0.04 0.00 0.02 0.00 0.00 55.97 55.33 2jqg s LYS 38 Cb -0.25 -2.75 0.00 0.00 -0.52 0.00 0.00 37.83 34.31 2jqg s LYS 38 CO 0.31 -0.43 -0.20 0.21 -0.92 0.00 0.00 175.35 174.32 2jqg s LYS 39 N 1.18 2.46 -0.19 1.68 2.47 -0.68 -4.88 119.74 121.78 2jqg s LYS 39 Ca -0.03 -0.74 -0.24 0.00 -1.56 0.00 0.00 55.97 53.40 2jqg s LYS 39 Cb -0.17 -1.96 -0.02 0.00 -1.46 0.00 0.00 37.83 34.23 2jqg s LYS 39 CO -0.08 0.19 0.77 0.99 0.16 0.00 0.00 175.35 177.38 2jqg s THR 40 N 0.28 4.91 0.25 3.43 2.01 -1.26 -0.94 115.64 124.32 2jqg s THR 40 Ca -0.13 1.49 0.08 0.00 0.31 0.00 0.00 61.69 63.43 2jqg s THR 40 Cb -0.16 -4.08 -0.04 0.00 0.01 0.00 0.00 72.50 68.24 2jqg s THR 40 CO 0.06 0.03 0.15 -0.36 -0.69 0.00 0.00 174.62 173.80 2jqg s PHE 41 N 2.24 3.01 -0.15 4.92 0.40 -0.16 -4.92 117.98 123.32 2jqg s PHE 41 Ca 0.35 -0.14 -0.10 0.00 -0.60 0.00 0.00 56.93 56.44 2jqg s PHE 41 Cb -0.16 -1.35 -0.05 0.00 0.51 0.00 0.00 43.02 41.97 2jqg s PHE 41 CO 0.11 0.55 0.18 0.71 0.70 0.00 0.00 175.22 177.46 2jqg s TYR 42 N -2.17 3.50 -0.53 0.36 1.51 -1.26 -1.13 117.35 117.63 2jqg s TYR 42 Ca 0.32 0.48 -0.03 0.00 -1.01 0.00 0.00 57.07 56.84 2jqg s TYR 42 Cb -0.08 -2.12 0.14 0.00 -0.11 0.00 0.00 41.96 39.79 2jqg s TYR 42 CO 0.24 0.46 0.34 -1.12 -1.11 0.00 0.00 175.55 174.35 2jqg s SER 43 N -0.19 5.25 -0.18 2.29 0.01 -1.26 -4.82 113.70 114.79 2jqg s SER 43 Ca 0.13 -2.49 -0.14 0.00 1.31 0.00 0.00 55.95 54.77 2jqg s SER 43 Cb -0.12 -1.84 0.05 0.00 0.21 0.00 0.00 66.02 64.32 2jqg s SER 43 CO 0.02 -0.45 0.45 -0.13 0.41 0.00 0.00 173.24 173.54 2jqg s ARG 44 N 0.48 0.49 0.02 12.44 0.52 -0.28 -4.83 118.95 127.80 2jqg s ARG 44 Ca 0.13 0.72 -0.30 0.00 -0.52 0.00 0.00 55.73 55.75 2jqg s ARG 44 Cb -0.22 0.16 -0.06 0.00 0.52 0.00 0.00 34.95 35.36 2jqg s ARG 44 CO -0.04 -0.10 1.34 -1.25 0.02 0.00 0.00 175.30 175.27 2jqg s PRO 45 N 0.71 4.32 0.00 3.54 0.04 -1.26 -4.24 135.00 138.11 2jqg s PRO 45 Ca -0.04 1.92 0.00 0.00 0.04 0.00 0.00 61.00 62.92 2jqg s PRO 45 Cb -0.05 -3.48 0.00 0.00 0.04 0.00 0.00 34.50 31.01 2jqg s PRO 45 CO -0.05 -0.48 0.00 -1.71 0.04 0.00 0.00 177.00 174.80 2jqg n ASN 46 N 4.86 0.00 -3.58 6.66 5.15 -1.26 -4.97 115.26 122.12 2jqg n ASN 46 Ca 0.12 0.00 -0.27 0.00 -0.60 0.00 0.00 54.58 53.83 2jqg n ASN 46 Cb 0.44 0.00 -0.10 0.00 -0.53 0.00 0.00 39.78 39.59 2jqg n ASN 46 CO 0.00 0.00 0.00 -0.46 1.40 0.00 0.00 177.26 178.20 2jqg n ASN 47 N 0.00 1.72 -0.88 1.20 6.94 -1.26 -4.88 115.26 118.09 2jqg n ASN 47 Ca 0.00 -2.93 -0.06 0.00 -0.02 0.00 0.00 54.58 51.57 2jqg n ASN 47 Cb 0.00 -0.67 -0.03 0.00 -2.36 0.00 0.00 39.78 36.73 2jqg n ASN 47 CO 0.00 0.00 0.00 1.41 -1.03 0.00 0.00 177.26 177.64 2jqg n HIS 48 N 1.98 -0.40 -2.70 -2.53 8.25 -1.26 -4.67 115.22 113.89 2jqg n HIS 48 Ca 0.25 0.00 -0.07 0.00 -0.26 0.00 0.00 57.72 57.64 2jqg n HIS 48 Cb 0.42 -1.78 0.06 0.00 1.12 0.00 0.00 29.99 29.82 2jqg n HIS 48 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 2jqg n ASP 49 N 0.39 0.38 -0.01 0.41 8.00 -1.26 -4.84 116.55 119.62 2jqg n ASP 49 Ca -0.06 -2.50 0.02 0.00 0.71 0.00 0.00 54.79 52.96 2jqg n ASP 49 Cb 0.27 -0.03 -0.04 0.00 -0.02 0.00 0.00 41.12 41.29 2jqg n ASP 49 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 2jqg n ASN 50 N -0.40 3.68 -0.17 -2.24 0.23 -1.26 -4.42 115.26 110.68 2jqg n ASN 50 Ca 0.04 0.00 -0.10 0.00 -0.53 0.00 0.00 54.58 53.99 2jqg n ASN 50 Cb 0.83 1.16 0.00 0.00 -2.08 0.00 0.00 39.78 39.69 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 0.48 0.66 -0.50 -2.53 0.00 -1.88 0.14 119.26 115.63 2jqg h ALA 51 Ca -0.02 -0.29 0.01 0.00 0.00 0.00 0.00 54.91 54.61 2jqg h ALA 51 Cb 0.44 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 2jqg h ALA 51 CO 0.00 0.48 0.33 -1.49 0.00 0.00 0.00 179.25 178.57 2jqg h TRP 52 N 0.73 0.60 -0.26 0.00 4.06 -1.82 0.41 115.95 119.68 2jqg h TRP 52 Ca 0.14 0.01 -0.11 0.00 2.06 0.00 0.00 58.89 60.99 2jqg h TRP 52 Cb 0.53 -0.20 -0.01 0.00 -1.00 0.00 0.00 29.16 28.47 2jqg h TRP 52 CO 0.04 0.37 -0.31 -0.07 -3.56 0.00 0.00 178.44 174.92 2jqg h LEU 53 N 0.65 0.54 -1.87 -4.49 3.38 -1.66 -0.36 115.31 111.49 2jqg h LEU 53 Ca 0.19 -0.20 0.26 0.00 0.09 0.00 0.00 57.88 58.21 2jqg h LEU 53 Cb -0.03 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 40.53 2jqg h LEU 53 CO -0.04 0.82 0.75 -1.13 0.09 0.00 0.00 178.44 178.93 2jqg h ASN 54 N 0.45 0.00 0.35 -0.43 -0.73 0.18 1.58 115.58 116.98 2jqg h ASN 54 Ca 0.06 0.00 -0.02 0.00 1.87 0.00 0.00 56.30 58.21 2jqg h ASN 54 Cb 0.76 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.36 2jqg h ASN 54 CO 0.06 0.00 -0.17 0.00 -0.37 0.00 0.00 177.43 176.95 2jqg h ALA 55 N 1.34 -0.77 -0.74 1.57 0.00 -0.71 1.08 119.26 121.03 2jqg h ALA 55 Ca 0.43 -0.10 0.07 0.00 0.00 0.00 0.00 54.91 55.31 2jqg h ALA 55 Cb 1.92 0.18 -0.05 0.00 0.00 0.00 0.00 17.79 19.85 2jqg h ALA 55 CO -0.00 -0.74 0.49 0.82 0.00 0.00 0.00 179.25 179.82 2jqg h ILE 56 N -0.65 1.00 0.00 0.00 1.08 -0.93 0.29 117.51 118.29 2jqg h ILE 56 Ca -0.05 -0.25 0.00 0.00 -0.39 0.00 0.00 64.86 64.17 2jqg h ILE 56 Cb 0.36 0.19 0.00 0.00 -3.07 0.00 0.00 36.82 34.30 2jqg h ILE 56 CO 0.08 0.14 0.00 0.18 -0.69 0.00 0.00 178.15 177.85 2jqg n LEU 57 N -4.49 0.33 0.16 1.44 7.99 0.52 0.13 117.00 123.08 2jqg n LEU 57 Ca 0.11 0.66 0.13 0.00 -0.01 0.00 0.00 56.01 56.90 2jqg n LEU 57 Cb 0.26 -0.37 0.67 0.00 -0.11 0.00 0.00 43.42 43.87 2jqg n LEU 57 CO 0.33 -0.37 1.12 1.56 -1.51 0.00 0.00 177.39 178.52 2jqg h GLN 58 N 0.00 0.00 -0.25 3.23 7.50 0.12 1.20 115.11 126.90 2jqg h GLN 58 Ca 0.00 0.00 -0.16 0.00 0.50 0.00 0.00 58.65 58.99 2jqg h GLN 58 Cb 0.00 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 27.52 2jqg h GLN 58 CO 0.00 0.00 -0.47 -0.07 -1.50 0.00 0.00 178.83 176.79 2jqg h LEU 59 N 0.00 0.73 -0.30 1.46 4.07 -0.45 -2.48 115.31 118.34 2jqg h LEU 59 Ca 0.10 -0.36 0.07 0.00 0.08 0.00 0.00 57.88 57.77 2jqg h LEU 59 Cb 0.40 -0.21 -0.08 0.00 1.08 0.00 0.00 40.66 41.86 2jqg h LEU 59 CO -0.00 1.09 -0.24 2.19 -1.08 0.00 0.00 178.44 180.39 2jqg h PHE 60 N 0.53 -0.64 -0.33 1.13 -5.15 0.98 0.61 116.94 114.07 2jqg h PHE 60 Ca 0.03 0.04 0.05 0.00 -0.20 0.00 0.00 57.97 57.89 2jqg h PHE 60 Cb 1.02 0.33 -0.05 0.00 0.22 0.00 0.00 35.95 37.48 2jqg h PHE 60 CO 0.05 -0.32 0.06 -0.09 -2.00 0.00 0.00 178.31 176.01 2jqg h ARG 61 N -0.22 0.16 0.03 6.09 9.65 -0.85 0.38 114.38 129.61 2jqg h ARG 61 Ca 0.16 -0.01 -0.28 0.00 -1.10 0.00 0.00 59.98 58.75 2jqg h ARG 61 Cb 0.46 -0.04 -0.03 0.00 -1.39 0.00 0.00 29.97 28.97 2jqg h ARG 61 CO -0.43 0.11 -1.52 0.66 2.80 0.00 0.00 179.97 181.59 2jqg n TYR 62 N -5.10 1.00 0.16 2.20 4.01 -0.72 -4.42 117.16 114.29 2jqg n TYR 62 Ca 0.01 0.37 0.04 0.00 -0.16 0.00 0.00 57.90 58.16 2jqg n TYR 62 Cb 0.15 -1.11 0.13 0.00 -0.31 0.00 0.00 39.34 38.20 2jqg n TYR 62 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 2jqg h VAL 63 N -0.75 0.79 0.00 -0.72 2.07 0.06 -3.48 116.25 114.22 2jqg h VAL 63 Ca -0.39 -1.92 0.00 0.00 0.82 0.00 0.00 66.70 65.21 2jqg h VAL 63 Cb 1.49 2.25 0.00 0.00 -1.52 0.00 0.00 31.29 33.51 2jqg h VAL 63 CO -0.16 0.42 0.00 1.21 0.02 0.00 0.00 177.57 179.06 2jqg n GLU 64 N -3.28 0.00 -1.50 1.57 2.13 -0.73 -4.93 120.64 113.90 2jqg n GLU 64 Ca 0.02 0.00 -0.40 0.00 0.66 0.00 0.00 57.16 57.43 2jqg n GLU 64 Cb 0.65 0.00 -0.12 0.00 0.27 0.00 0.00 31.44 32.24 2jqg n GLU 64 CO 0.00 0.00 0.00 -0.85 -0.41 0.00 0.00 177.13 175.87 2jqg n GLU 65 N 0.00 0.23 -0.06 5.31 0.28 0.12 -4.44 120.64 122.08 2jqg n GLU 65 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 2jqg n GLU 65 Cb 0.00 -1.92 0.00 0.00 1.43 0.00 0.00 31.44 30.95 2jqg n GLU 65 CO 0.00 0.00 0.00 -0.35 -0.16 0.00 0.00 177.13 176.62 2jqg n PRO 66 N 8.58 1.28 0.27 3.44 -0.04 -1.26 -4.82 135.00 142.44 2jqg n PRO 66 Ca 0.59 0.00 0.05 0.00 -0.04 0.00 0.00 63.50 64.10 2jqg n PRO 66 Cb 0.14 0.00 0.25 0.00 -0.04 0.00 0.00 33.50 33.84 2jqg n PRO 66 CO 0.00 0.00 0.00 0.35 -0.04 0.00 0.00 175.50 175.81 2jqg h PHE 67 N -0.15 0.00 0.00 0.54 3.57 -1.92 -3.03 116.94 115.95 2jqg h PHE 67 Ca 0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 2jqg h PHE 67 Cb 0.00 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.74 2jqg h PHE 67 CO 0.00 0.00 0.82 1.97 -2.23 0.00 0.00 178.31 178.87 2jqg n PHE 68 N -2.34 0.00 -0.31 0.41 -1.74 -1.26 -2.10 117.46 110.12 2jqg n PHE 68 Ca -0.01 0.00 0.26 0.00 -0.56 0.00 0.00 57.45 57.14 2jqg n PHE 68 Cb 0.69 0.00 0.58 0.00 1.52 0.00 0.00 39.48 42.27 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 0.00 0.30 0.10 5.98 3.32 -1.88 0.26 116.42 124.51 2jqg h ASP 69 Ca 0.00 0.06 -0.05 0.00 0.02 0.00 0.00 57.03 57.06 2jqg h ASP 69 Cb 1.64 0.01 -0.01 0.00 0.22 0.00 0.00 39.33 41.19 2jqg h ASP 69 CO 0.00 0.06 -0.17 -0.50 -1.72 0.00 0.00 179.24 176.91 2jqg h TRP 70 N 0.27 0.15 0.11 4.55 4.06 -1.73 -0.07 115.95 123.29 2jqg h TRP 70 Ca 0.57 -0.02 -0.01 0.00 2.06 0.00 0.00 58.89 61.49 2jqg h TRP 70 Cb 1.68 -0.04 0.00 0.00 -1.00 0.00 0.00 29.16 29.79 2jqg h TRP 70 CO -0.00 0.31 -0.05 0.28 -3.56 0.00 0.00 178.44 175.42 2jqg h VAL 71 N 0.14 0.00 0.00 1.49 2.07 -0.70 -3.30 116.25 115.95 2jqg h VAL 71 Ca 0.03 -0.13 -0.19 0.00 0.82 0.00 0.00 66.70 67.23 2jqg h VAL 71 Cb 0.39 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.13 2jqg h VAL 71 CO 0.03 0.00 -0.88 1.88 0.02 0.00 0.00 177.57 178.61 2jqg h TYR 72 N -0.28 0.04 0.00 1.57 0.05 -1.63 -3.10 116.97 113.62 2jqg h TYR 72 Ca -0.02 -0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.74 2jqg h TYR 72 Cb 0.11 -0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.85 2jqg h TYR 72 CO 0.08 0.89 0.00 1.03 -1.05 0.00 0.00 178.16 179.11 2jqg h SER 73 N 0.01 0.00 -3.77 3.88 0.87 -1.18 -3.42 113.55 109.94 2jqg h SER 73 Ca -0.01 0.00 -0.50 0.00 -1.23 0.00 0.00 61.79 60.05 2jqg h SER 73 Cb 1.55 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 63.51 2jqg h SER 73 CO 0.12 0.00 0.41 -0.44 -0.53 0.00 0.00 176.83 176.39 2jqg s SER 74 N -5.05 7.46 0.42 6.23 0.01 -1.17 -4.93 113.70 116.68 2jqg s SER 74 Ca -0.04 2.10 0.19 0.00 1.31 0.00 0.00 55.95 59.51 2jqg s SER 74 Cb 0.12 -2.62 0.95 0.00 0.21 0.00 0.00 66.02 64.68 2jqg s SER 74 CO 0.39 0.01 1.89 1.55 0.41 0.00 0.00 173.24 177.49 2jqg h PRO 75 N 4.02 0.00 -5.95 12.44 0.13 -1.89 -3.44 132.00 137.31 2jqg h PRO 75 Ca -0.46 0.00 -0.62 0.00 -0.87 0.00 0.00 66.00 64.05 2jqg h PRO 75 Cb 1.21 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.20 2jqg h PRO 75 CO 0.68 0.28 -0.68 -1.21 -0.23 0.00 0.00 178.00 176.83 2jqg s GLU 76 N -4.10 1.82 -0.32 0.86 2.02 -1.26 -5.04 118.70 112.68 2jqg s GLU 76 Ca -0.02 -1.93 -0.34 0.00 0.02 0.00 0.00 54.97 52.70 2jqg s GLU 76 Cb 0.13 -1.71 -0.10 0.00 0.10 0.00 0.00 34.13 32.55 2jqg s GLU 76 CO 0.67 0.15 2.19 0.27 0.02 0.00 0.00 175.26 178.56 2jqg n ASN 77 N -0.79 2.35 -2.48 -0.19 6.94 -1.26 -4.81 115.26 115.02 2jqg n ASN 77 Ca -0.05 0.39 -0.20 0.00 -0.02 0.00 0.00 54.58 54.70 2jqg n ASN 77 Cb 0.63 -1.31 0.02 0.00 -2.36 0.00 0.00 39.78 36.75 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 10.09 3.65 0.09 -4.53 4.32 -1.26 -4.86 117.00 124.49 2jqg n LEU 78 Ca 0.39 -4.56 -0.13 0.00 -0.02 0.00 0.00 56.01 51.69 2jqg n LEU 78 Cb 0.27 -0.13 -0.08 0.00 -1.62 0.00 0.00 43.42 41.85 2jqg n LEU 78 CO 0.74 1.94 0.65 0.00 -1.22 0.00 0.00 177.39 179.50 2jqg h THR 79 N 2.89 0.97 0.08 -5.08 1.03 -1.87 0.77 112.91 111.70 2jqg h THR 79 Ca 0.17 -0.62 0.02 0.00 -0.01 0.00 0.00 66.41 65.97 2jqg h THR 79 Cb 1.12 1.34 -0.05 0.00 -1.07 0.00 0.00 68.15 69.50 2jqg h THR 79 CO 0.69 0.14 -0.51 0.17 -0.01 0.00 0.00 175.52 176.00 2jqg h LEU 80 N -0.51 -1.54 -1.83 0.00 8.10 -1.85 -0.42 115.31 117.26 2jqg h LEU 80 Ca -0.02 0.17 -0.03 0.00 0.11 0.00 0.00 57.88 58.11 2jqg h LEU 80 Cb 0.40 0.58 -0.00 0.00 -0.44 0.00 0.00 40.66 41.19 2jqg h LEU 80 CO 0.04 -0.54 -0.14 -0.33 -4.11 0.00 0.00 178.44 173.36 2jqg h GLU 81 N -0.71 0.00 -0.09 0.17 5.08 -1.95 -1.76 114.58 115.32 2jqg h GLU 81 Ca 0.01 0.00 0.03 0.00 -1.00 0.00 0.00 59.36 58.40 2jqg h GLU 81 Cb 0.74 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.95 2jqg h GLU 81 CO -0.30 0.14 -0.10 0.00 -1.00 0.00 0.00 179.01 177.74 2jqg h ALA 82 N 1.86 -0.02 0.12 3.43 0.00 0.87 -2.35 119.26 123.16 2jqg h ALA 82 Ca -0.00 0.04 -0.32 0.00 0.00 0.00 0.00 54.91 54.63 2jqg h ALA 82 Cb 0.27 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 2jqg h ALA 82 CO 0.02 -0.56 -1.62 0.82 0.00 0.00 0.00 179.25 177.91 2jqg h ILE 83 N -0.12 1.05 -1.01 0.00 5.03 -1.28 -3.13 117.51 118.04 2jqg h ILE 83 Ca 0.07 -2.71 0.27 0.00 -0.12 0.00 0.00 64.86 62.37 2jqg h ILE 83 Cb 0.22 2.71 -0.07 0.00 -3.03 0.00 0.00 36.82 36.66 2jqg h ILE 83 CO -0.17 0.81 0.69 0.50 -0.68 0.00 0.00 178.15 179.30 2jqg h LYS 84 N 0.07 0.23 0.05 2.37 3.64 -1.28 1.71 116.57 123.36 2jqg h LYS 84 Ca -0.28 -0.01 -0.25 0.00 -1.27 0.00 0.00 60.65 58.84 2jqg h LYS 84 Cb 2.03 -0.05 0.01 0.00 -0.41 0.00 0.00 32.23 33.80 2jqg h LYS 84 CO 0.15 0.15 -1.07 0.37 -2.27 0.00 0.00 179.45 176.79 2jqg h GLN 85 N 0.24 0.42 -0.55 1.90 5.75 -1.49 -2.79 115.11 118.59 2jqg h GLN 85 Ca 0.53 -0.52 -0.10 0.00 -0.15 0.00 0.00 58.65 58.40 2jqg h GLN 85 Cb 1.64 0.16 -0.02 0.00 1.07 0.00 0.00 27.48 30.33 2jqg h GLN 85 CO -0.15 1.18 -0.05 1.25 -2.65 0.00 0.00 178.83 178.41 2jqg h LEU 86 N 0.21 0.99 -1.26 -2.39 7.12 0.21 -2.44 115.31 117.75 2jqg h LEU 86 Ca -0.11 -0.33 -0.07 0.00 0.13 0.00 0.00 57.88 57.50 2jqg h LEU 86 Cb 1.73 -0.27 -0.01 0.00 -0.53 0.00 0.00 40.66 41.58 2jqg h LEU 86 CO 0.19 1.09 -0.25 1.05 -0.13 0.00 0.00 178.44 180.38 2jqg h GLU 87 N 0.88 0.19 -0.14 1.25 4.11 1.00 0.82 114.58 122.69 2jqg h GLU 87 Ca 0.15 -0.06 0.00 0.00 0.07 0.00 0.00 59.36 59.52 2jqg h GLU 87 Cb 0.61 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.84 2jqg h GLU 87 CO 0.04 0.43 0.09 0.22 0.07 0.00 0.00 179.01 179.86 2jqg h ASP 88 N 0.17 0.16 0.01 3.06 3.58 -1.16 2.60 116.42 124.85 2jqg h ASP 88 Ca 0.03 -0.00 -0.33 0.00 0.42 0.00 0.00 57.03 57.15 2jqg h ASP 88 Cb 0.54 -0.04 -0.05 0.00 1.72 0.00 0.00 39.33 41.50 2jqg h ASP 88 CO 0.04 0.12 -1.79 -0.11 -2.88 0.00 0.00 179.24 174.62 2jqg n LEU 89 N -4.51 1.99 0.19 2.28 0.00 -0.20 -4.23 117.00 112.52 2jqg n LEU 89 Ca -0.01 0.36 0.08 0.00 0.00 0.00 0.00 56.01 56.43 2jqg n LEU 89 Cb 0.08 -0.93 0.29 0.00 0.00 0.00 0.00 43.42 42.87 2jqg n LEU 89 CO 0.34 0.44 0.69 0.71 0.00 0.00 0.00 177.39 179.58 2jqg h THR 90 N -0.88 0.62 -1.25 1.96 1.35 0.63 -3.47 112.91 111.86 2jqg h THR 90 Ca -0.48 -1.48 -0.23 0.00 -0.55 0.00 0.00 66.41 63.66 2jqg h THR 90 Cb 1.48 2.00 -0.04 0.00 -1.73 0.00 0.00 68.15 69.87 2jqg h THR 90 CO -0.26 0.30 -0.27 0.61 -0.25 0.00 0.00 175.52 175.65 2jqg n GLY 91 N 0.57 0.39 0.01 5.82 0.00 0.87 -4.90 105.19 107.96 2jqg n GLY 91 Ca 0.01 -0.43 0.08 0.00 0.00 0.00 0.00 46.02 45.67 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 -1.54 0.17 -1.63 0.99 -0.00 -1.22 -5.01 117.00 108.76 2jqg n LEU 92 Ca -0.13 -0.12 0.00 0.00 -0.00 0.00 0.00 56.01 55.76 2jqg n LEU 92 Cb 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.94 2jqg n LEU 92 CO 0.17 0.04 -0.36 1.21 -0.00 0.00 0.00 177.39 178.45 2jqg n GLU 93 N -1.87 -4.21 -0.09 1.47 2.13 -1.26 -5.02 120.64 111.79 2jqg n GLU 93 Ca -0.01 3.09 0.00 0.00 0.66 0.00 0.00 57.16 60.89 2jqg n GLU 93 Cb 0.36 -3.23 0.00 0.00 0.27 0.00 0.00 31.44 28.84 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 1.20 0.00 -0.52 4.31 -0.00 -1.26 -4.87 117.00 115.85 2jqg n LEU 94 Ca 0.00 -0.43 0.44 0.00 -0.00 0.00 0.00 56.01 56.03 2jqg n LEU 94 Cb 0.00 0.00 0.75 0.00 -0.00 0.00 0.00 43.42 44.17 2jqg n LEU 94 CO 0.00 0.53 1.41 1.12 -0.00 0.00 0.00 177.39 180.45 2jqg h HIS 95 N 0.00 0.00 -0.14 1.47 2.07 -1.88 1.68 115.15 118.36 2jqg h HIS 95 Ca 0.00 0.00 -0.03 0.00 -2.85 0.00 0.00 60.37 57.49 2jqg h HIS 95 Cb 0.68 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 30.64 2jqg h HIS 95 CO -0.05 0.00 -0.09 0.39 -3.07 0.00 0.00 177.93 175.11 2jqg n GLU 96 N -3.88 1.90 0.00 5.12 1.02 -1.26 -4.73 120.64 118.81 2jqg n GLU 96 Ca 0.36 -2.88 0.00 0.00 -0.02 0.00 0.00 57.16 54.62 2jqg n GLU 96 Cb 1.73 -1.68 0.00 0.00 -0.02 0.00 0.00 31.44 31.47 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 -1.07 3.34 0.00 0.62 0.00 0.57 -4.93 105.19 103.73 2jqg n GLY 97 Ca 0.21 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.16 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 -1.01 0.00 -0.02 0.00 -1.26 -4.08 105.19 98.83 2jqg n GLY 98 Ca 0.00 0.42 0.00 0.00 0.00 0.00 0.00 46.02 46.44 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 0.00 0.00 0.23 1.61 -0.04 -1.26 -4.36 135.00 131.18 2jqg n PRO 99 Ca 0.00 0.00 0.16 0.00 -0.04 0.00 0.00 63.50 63.62 2jqg n PRO 99 Cb 0.00 0.00 0.79 0.00 -0.04 0.00 0.00 33.50 34.25 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 -2.27 0.54 0.13 -1.96 -3.31 132.00 125.12 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 0.05 0.00 -0.23 0.00 0.00 178.00 177.82 2jqg n ALA 101 N -1.91 0.00 0.00 -0.56 0.00 -1.26 -3.31 120.51 113.47 2jqg n ALA 101 Ca -0.01 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.38 2jqg n ALA 101 Cb 0.10 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.55 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 1.46 0.00 -0.34 0.00 4.77 -1.26 -4.45 117.00 117.17 2jqg n LEU 102 Ca 0.00 0.00 0.10 0.00 -0.03 0.00 0.00 56.01 56.08 2jqg n LEU 102 Cb 0.02 -0.04 0.27 0.00 -2.33 0.00 0.00 43.42 41.35 2jqg n LEU 102 CO 0.02 0.00 1.19 0.58 -1.33 0.00 0.00 177.39 177.85 2jqg h VAL 103 N 0.00 0.79 -0.01 4.08 2.07 -1.64 0.68 116.25 122.22 2jqg h VAL 103 Ca 0.00 -0.28 -0.23 0.00 0.82 0.00 0.00 66.70 67.01 2jqg h VAL 103 Cb 0.00 -0.10 0.00 0.00 -1.52 0.00 0.00 31.29 29.67 2jqg h VAL 103 CO 0.00 0.15 -0.93 0.16 0.02 0.00 0.00 177.57 176.97 2jqg h ILE 104 N 0.82 1.37 -0.50 4.57 3.07 -1.73 -2.83 117.51 122.28 2jqg h ILE 104 Ca 0.52 -2.37 -0.05 0.00 1.55 0.00 0.00 64.86 64.52 2jqg h ILE 104 Cb 0.70 2.36 -0.02 0.00 -0.27 0.00 0.00 36.82 39.59 2jqg h ILE 104 CO -0.34 0.71 0.12 -0.25 -1.05 0.00 0.00 178.15 177.35 2jqg h TRP 105 N 0.28 0.85 0.00 0.16 7.01 -0.11 -3.14 115.95 120.98 2jqg h TRP 105 Ca -0.08 -0.10 -0.14 0.00 2.11 0.00 0.00 58.89 60.68 2jqg h TRP 105 Cb 1.56 -0.24 -0.02 0.00 -2.10 0.00 0.00 29.16 28.36 2jqg h TRP 105 CO 0.07 0.75 -0.65 -0.91 -2.79 0.00 0.00 178.44 174.91 2jqg h ASN 106 N 0.69 0.00 0.00 2.65 -0.26 -0.17 -3.24 115.58 115.25 2jqg h ASN 106 Ca 0.16 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.90 2jqg h ASN 106 Cb 0.34 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.60 2jqg h ASN 106 CO 0.00 0.65 0.00 -0.38 -1.06 0.00 0.00 177.43 176.64 2jqg n ILE 107 N -3.35 0.00 -0.20 2.81 5.41 -1.07 -4.63 119.36 118.34 2jqg n ILE 107 Ca 0.01 0.00 0.01 0.00 1.00 0.00 0.00 62.75 63.77 2jqg n ILE 107 Cb 0.76 -0.32 0.05 0.00 -0.71 0.00 0.00 39.64 39.42 2jqg n ILE 107 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.55 176.84 2jqg n LYS 108 N -0.13 -0.09 0.20 0.38 5.02 -1.23 0.12 118.16 122.43 2jqg n LYS 108 Ca 0.00 0.81 0.16 0.00 -2.02 0.00 0.00 58.31 57.26 2jqg n LYS 108 Cb 0.15 -1.21 0.79 0.00 -0.02 0.00 0.00 35.03 34.74 2jqg n LYS 108 CO 0.00 0.00 0.00 1.12 -0.52 0.00 0.00 177.40 178.00 2jqg h HIS 109 N 0.00 0.00 0.00 2.13 2.07 -1.92 -0.96 115.15 116.47 2jqg h HIS 109 Ca 0.21 0.00 -0.38 0.00 -2.85 0.00 0.00 60.37 57.35 2jqg h HIS 109 Cb 0.35 0.00 -0.07 0.00 2.57 0.00 0.00 27.41 30.26 2jqg h HIS 109 CO -0.43 0.00 -2.44 1.28 -3.07 0.00 0.00 177.93 173.26 2jqg n LEU 110 N -4.02 2.83 0.00 6.12 7.99 0.17 -4.87 117.00 125.22 2jqg n LEU 110 Ca 0.01 -0.13 0.00 0.00 -0.01 0.00 0.00 56.01 55.88 2jqg n LEU 110 Cb 0.29 -0.82 0.00 0.00 -0.11 0.00 0.00 43.42 42.78 2jqg n LEU 110 CO 0.30 0.91 0.00 -0.11 -1.51 0.00 0.00 177.39 176.98 2jqg n LEU 111 N -3.22 0.00 0.00 2.23 -0.00 0.33 -4.70 117.00 111.64 2jqg n LEU 111 Ca -0.44 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.57 2jqg n LEU 111 Cb 0.99 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 44.41 2jqg n LEU 111 CO 0.26 0.00 0.00 1.57 -0.00 0.00 0.00 177.39 179.22 2jqg n HIS 112 N 0.00 0.00 -2.83 1.96 -0.00 -0.42 -4.75 115.22 109.18 2jqg n HIS 112 Ca 0.00 0.00 -0.07 0.00 0.46 0.00 0.00 57.72 58.11 2jqg n HIS 112 Cb 0.00 0.00 0.03 0.00 -0.12 0.00 0.00 29.99 29.90 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 -2.01 3.57 5.66 -1.26 -4.94 114.28 115.29 2jqg n THR 113 Ca 0.00 -0.65 -0.41 0.00 -3.05 0.00 0.00 64.05 59.94 2jqg n THR 113 Cb 0.00 -0.94 -0.03 0.00 -1.55 0.00 0.00 70.33 67.82 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 -3.05 0.54 -0.01 1.09 0.00 -1.26 -4.93 107.32 99.70 2jqg s GLY 114 Ca 0.22 -0.11 0.02 0.00 0.00 0.00 0.00 44.72 44.86 2jqg s GLY 114 CO 0.14 3.34 -0.05 -0.42 0.00 0.00 0.00 173.10 176.11 2jqg s ILE 115 N 7.86 3.82 0.00 0.90 -1.09 -1.26 0.11 121.20 131.53 2jqg s ILE 115 Ca 0.75 -0.66 0.00 0.00 -2.23 0.00 0.00 60.65 58.51 2jqg s ILE 115 Cb -0.18 -2.65 0.00 0.00 -1.58 0.00 0.00 42.46 38.04 2jqg s ILE 115 CO 0.28 0.43 0.00 0.61 -1.23 0.00 0.00 174.94 175.03 2jqg n GLY 116 N 1.63 5.00 3.29 6.18 0.00 -0.16 -4.81 105.19 116.32 2jqg n GLY 116 Ca -0.16 -1.17 -0.15 0.00 0.00 0.00 0.00 46.02 44.54 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 -0.24 0.85 0.38 2.61 2.01 -0.09 -2.98 115.64 118.18 2jqg s THR 117 Ca 0.00 -2.01 0.12 0.00 0.31 0.00 0.00 61.69 60.11 2jqg s THR 117 Cb 0.00 -2.24 0.34 0.00 0.01 0.00 0.00 72.50 70.61 2jqg s THR 117 CO 0.00 -0.39 1.86 0.00 -0.69 0.00 0.00 174.62 175.40 2jqg h ALA 118 N 2.58 1.97 -0.45 7.40 0.00 -1.71 0.29 119.26 129.34 2jqg h ALA 118 Ca -0.37 0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.49 2jqg h ALA 118 Cb 1.21 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.90 2jqg h ALA 118 CO 0.63 -0.23 0.02 0.77 0.00 0.00 0.00 179.25 180.45 2jqg h SER 119 N 0.57 0.68 -3.79 0.00 0.02 -1.90 -3.36 113.55 105.78 2jqg h SER 119 Ca 0.46 -0.15 -0.63 0.00 -0.84 0.00 0.00 61.79 60.63 2jqg h SER 119 Cb 0.89 -0.18 -0.40 0.00 0.14 0.00 0.00 62.40 62.85 2jqg h SER 119 CO -0.20 0.74 -0.70 -0.13 -1.14 0.00 0.00 176.83 175.40 2jqg s ARG 120 N -5.02 1.48 0.21 3.45 0.52 0.10 -5.10 118.95 114.59 2jqg s ARG 120 Ca -0.09 -2.04 -0.30 0.00 -0.52 0.00 0.00 55.73 52.78 2jqg s ARG 120 Cb 0.15 -2.85 -0.09 0.00 0.52 0.00 0.00 34.95 32.68 2jqg s ARG 120 CO 0.80 -1.06 1.35 -1.25 0.02 0.00 0.00 175.30 175.16 2jqg s PRO 121 N 0.48 4.35 0.00 3.54 0.04 -1.15 -0.91 135.00 141.35 2jqg s PRO 121 Ca 0.14 2.12 0.00 0.00 0.04 0.00 0.00 61.00 63.31 2jqg s PRO 121 Cb -0.22 -3.17 0.00 0.00 0.04 0.00 0.00 34.50 31.14 2jqg s PRO 121 CO -0.06 -0.31 0.00 0.43 0.04 0.00 0.00 177.00 177.11 2jqg n SER 122 N 2.63 0.59 -0.33 6.66 7.64 -1.26 -4.90 113.62 124.65 2jqg n SER 122 Ca 0.07 -0.29 0.05 0.00 1.01 0.00 0.00 58.87 59.71 2jqg n SER 122 Cb 0.42 0.00 0.20 0.00 -1.01 0.00 0.00 64.21 63.82 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 0.87 -5.51 1.43 4.39 0.37 -3.41 114.58 112.73 2jqg h GLU 123 Ca 0.00 -0.05 -0.46 0.00 0.34 0.00 0.00 59.36 59.18 2jqg h GLU 123 Cb 0.00 -0.20 -0.24 0.00 -0.10 0.00 0.00 28.75 28.22 2jqg h GLU 123 CO 0.00 0.58 -0.80 0.14 -1.16 0.00 0.00 179.01 177.77 2jqg s VAL 124 N -6.00 1.24 0.18 3.13 -7.23 0.12 -4.64 120.40 107.20 2jqg s VAL 124 Ca -0.12 -1.17 0.07 0.00 -1.81 0.00 0.00 61.98 58.95 2jqg s VAL 124 Cb 0.21 -1.14 -0.05 0.00 0.56 0.00 0.00 36.38 35.96 2jqg s VAL 124 CO 0.80 -0.05 -0.14 0.00 -0.31 0.00 0.00 175.10 175.40 2jqg n VAL 126 N -0.24 0.00 -0.00 0.00 0.24 -1.16 -0.38 118.33 116.79 2jqg n VAL 126 Ca -0.09 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.21 2jqg n VAL 126 Cb 0.60 -1.74 0.00 0.00 -1.47 0.00 0.00 33.84 31.23 2jqg n VAL 126 CO 0.00 0.00 0.00 0.55 -2.14 0.00 0.00 176.83 175.24 2jqg n VAL 127 N -0.69 0.00 0.00 3.34 3.14 -0.84 0.04 118.33 123.32 2jqg n VAL 127 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 2jqg n VAL 127 Cb 0.00 -0.07 0.00 0.00 -1.06 0.00 0.00 33.84 32.71 2jqg n VAL 127 CO 0.00 0.00 0.00 -0.90 -6.46 0.00 0.00 176.83 169.47 2jqg n ASP 128 N -0.11 0.00 0.00 6.55 5.75 -1.26 -3.32 116.55 124.16 2jqg n ASP 128 Ca 0.00 0.04 0.00 0.00 -0.01 0.00 0.00 54.79 54.82 2jqg n ASP 128 Cb 0.00 -0.25 0.00 0.00 -1.03 0.00 0.00 41.12 39.84 2jqg n ASP 128 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2jqg n GLY 129 N 2.04 0.00 3.42 6.12 0.00 -1.26 -4.12 105.19 111.38 2jqg n GLY 129 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 2jqg n GLY 129 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2jqg s THR 130 N -0.94 1.31 -1.18 2.61 -1.32 -1.26 -4.96 115.64 109.90 2jqg s THR 130 Ca 0.00 -2.05 -0.19 0.00 -1.21 0.00 0.00 61.69 58.25 2jqg s THR 130 Cb 0.00 -2.59 -0.03 0.00 -1.51 0.00 0.00 72.50 68.37 2jqg s THR 130 CO 0.00 -0.17 1.97 -0.67 -2.21 0.00 0.00 174.62 173.54 2jqg n ASP 131 N -0.60 3.61 -4.41 8.08 2.03 -1.26 -4.90 116.55 119.10 2jqg n ASP 131 Ca -0.04 -2.79 -0.20 0.00 0.52 0.00 0.00 54.79 52.28 2jqg n ASP 131 Cb 0.65 -1.55 -0.10 0.00 -0.72 0.00 0.00 41.12 39.39 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 4.59 1.54 0.03 -0.67 -1.94 -1.26 -5.11 119.30 116.48 2jqg s MET 132 Ca 0.56 -1.81 0.00 0.00 -1.71 0.00 0.00 55.69 52.73 2jqg s MET 132 Cb 0.09 -0.92 -0.00 0.00 2.01 0.00 0.00 34.83 36.01 2jqg s MET 132 CO 0.05 -0.08 0.04 0.00 -0.01 0.00 0.00 175.02 175.02 2jqg n LEU 134 N 0.00 -0.76 0.28 0.00 -0.00 -1.26 -0.63 117.00 114.63 2jqg n LEU 134 Ca 0.00 1.66 0.17 0.00 -0.00 0.00 0.00 56.01 57.84 2jqg n LEU 134 Cb 0.05 -0.32 0.67 0.00 -0.00 0.00 0.00 43.42 43.82 2jqg n LEU 134 CO 0.03 -1.44 0.99 0.00 -0.00 0.00 0.00 177.39 176.97 2jqg h ALA 135 N 0.99 1.00 -0.91 1.96 0.00 -1.96 -3.29 119.26 117.04 2jqg h ALA 135 Ca 0.26 0.00 0.10 0.00 0.00 0.00 0.00 54.91 55.27 2jqg h ALA 135 Cb 0.50 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.22 2jqg h ALA 135 CO -0.92 0.00 0.59 -0.44 0.00 0.00 0.00 179.25 178.48 2jqg h ASP 136 N 0.00 0.82 -5.48 0.00 3.32 -1.25 -3.44 116.42 110.38 2jqg h ASP 136 Ca 0.00 0.03 -0.19 0.00 0.02 0.00 0.00 57.03 56.89 2jqg h ASP 136 Cb 0.53 -0.14 -0.14 0.00 0.22 0.00 0.00 39.33 39.80 2jqg h ASP 136 CO 0.00 0.47 -0.53 0.72 -1.72 0.00 0.00 179.24 178.19 2jqg s PHE 137 N -5.83 0.92 -0.44 4.55 -0.12 -1.24 -4.47 117.98 111.35 2jqg s PHE 137 Ca -0.11 -1.20 0.09 0.00 -0.05 0.00 0.00 56.93 55.66 2jqg s PHE 137 Cb 0.21 -0.39 0.31 0.00 -0.63 0.00 0.00 43.02 42.52 2jqg s PHE 137 CO 0.80 -0.68 0.71 0.72 -0.05 0.00 0.00 175.22 176.72 2jqg n HIS 138 N -0.25 1.01 0.00 3.49 8.25 0.23 -4.76 115.22 123.19 2jqg n HIS 138 Ca -0.01 -3.81 0.00 0.00 -0.26 0.00 0.00 57.72 53.64 2jqg n HIS 138 Cb 0.65 -0.43 0.00 0.00 1.12 0.00 0.00 29.99 31.33 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 0.54 0.00 0.00 -1.41 0.00 -1.21 -2.12 120.51 116.31 2jqg n ALA 139 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.69 2jqg n ALA 139 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.01 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 -0.67 -2.04 3.30 0.00 0.00 -1.12 0.64 105.19 105.30 2jqg n GLY 140 Ca 0.00 -1.44 -0.35 0.00 0.00 0.00 0.00 46.02 44.22 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 -1.90 3.36 -0.11 -0.61 1.01 -0.45 -3.39 121.20 119.10 2jqg s ILE 141 Ca 0.00 -0.56 -0.02 0.00 0.00 0.00 0.00 60.65 60.08 2jqg s ILE 141 Cb 0.00 -2.56 -0.03 0.00 0.01 0.00 0.00 42.46 39.89 2jqg s ILE 141 CO 0.00 0.38 -0.04 -0.36 0.00 0.00 0.00 174.94 174.92 2jqg s PHE 142 N 1.47 3.01 -0.66 3.97 0.40 -1.04 -2.12 117.98 123.01 2jqg s PHE 142 Ca 0.05 -0.12 -0.24 0.00 -0.60 0.00 0.00 56.93 56.02 2jqg s PHE 142 Cb -0.15 -1.84 0.05 0.00 0.51 0.00 0.00 43.02 41.59 2jqg s PHE 142 CO -0.03 0.17 1.04 -0.51 0.70 0.00 0.00 175.22 176.58 2jqg s LEU 143 N -0.24 4.03 -0.21 -0.37 2.01 0.54 -3.17 118.68 121.28 2jqg s LEU 143 Ca 0.04 -0.72 -0.17 0.00 0.01 0.00 0.00 54.13 53.29 2jqg s LEU 143 Cb -0.13 -2.55 -0.04 0.00 0.01 0.00 0.00 46.19 43.49 2jqg s LEU 143 CO 0.02 -1.49 0.44 -0.75 1.01 0.00 0.00 176.35 175.58 2jqg s LYS 144 N 4.45 4.17 2.39 1.70 2.20 -1.07 -4.89 119.74 128.69 2jqg s LYS 144 Ca 0.27 0.26 0.00 0.00 -0.36 0.00 0.00 55.97 56.14 2jqg s LYS 144 Cb -0.14 -3.55 0.00 0.00 -1.51 0.00 0.00 37.83 32.63 2jqg s LYS 144 CO 0.13 -0.09 0.00 0.41 -0.36 0.00 0.00 175.35 175.44 2jqg n GLY 145 N 3.96 1.48 3.54 5.54 0.00 -1.26 -3.65 105.19 114.80 2jqg n GLY 145 Ca -0.07 -0.47 -0.34 0.00 0.00 0.00 0.00 46.02 45.15 2jqg n GLY 145 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2jqg s GLN 146 N 0.00 2.76 -1.41 1.61 0.74 -1.26 -4.59 119.66 117.51 2jqg s GLN 146 Ca 0.00 -0.59 -0.07 0.00 0.05 0.00 0.00 55.36 54.74 2jqg s GLN 146 Cb 0.00 -2.55 0.04 0.00 1.10 0.00 0.00 33.01 31.60 2jqg s GLN 146 CO 0.00 0.61 0.90 -1.91 -0.55 0.00 0.00 175.29 174.34 2jqg n GLU 147 N 2.38 -5.65 -3.69 1.67 2.13 -1.26 -4.97 120.64 111.24 2jqg n GLU 147 Ca -0.18 0.65 -0.18 0.00 0.66 0.00 0.00 57.16 58.11 2jqg n GLU 147 Cb 0.53 -5.44 -0.17 0.00 0.27 0.00 0.00 31.44 26.63 2jqg n GLU 147 CO 0.00 0.00 0.00 -1.01 -0.41 0.00 0.00 177.13 175.71 2jqg s HIS 148 N -3.45 -0.04 -0.08 4.31 3.76 -1.24 -5.00 115.29 113.55 2jqg s HIS 148 Ca 0.37 0.38 -0.00 0.00 -0.15 0.00 0.00 55.06 55.66 2jqg s HIS 148 Cb -0.18 -0.35 -0.03 0.00 1.11 0.00 0.00 32.58 33.13 2jqg s HIS 148 CO 0.81 -0.20 -0.05 0.00 -0.85 0.00 0.00 174.74 174.44 2jqg s ALA 149 N 2.00 3.05 0.03 -1.40 0.00 -1.26 -2.60 121.76 121.58 2jqg s ALA 149 Ca 0.02 -0.87 -0.00 0.00 0.00 0.00 0.00 51.96 51.11 2jqg s ALA 149 Cb -0.12 -1.31 -0.03 0.00 0.00 0.00 0.00 23.12 21.66 2jqg s ALA 149 CO -0.04 0.55 -0.04 0.14 0.00 0.00 0.00 175.76 176.37 2jqg s VAL 150 N -0.74 0.20 -0.12 0.00 -7.23 -1.19 -4.55 120.40 106.76 2jqg s VAL 150 Ca 0.11 -1.22 -0.05 0.00 -1.81 0.00 0.00 61.98 59.01 2jqg s VAL 150 Cb -0.11 -0.71 0.06 0.00 0.56 0.00 0.00 36.38 36.18 2jqg s VAL 150 CO 0.02 -0.65 0.27 -0.36 -0.31 0.00 0.00 175.10 174.07 2jqg s PHE 151 N -2.25 -0.41 0.44 2.82 0.40 -1.26 -2.49 117.98 115.23 2jqg s PHE 151 Ca -0.08 0.94 0.06 0.00 -0.60 0.00 0.00 56.93 57.25 2jqg s PHE 151 Cb -0.04 0.03 -0.04 0.00 0.51 0.00 0.00 43.02 43.48 2jqg s PHE 151 CO -0.04 -0.31 0.19 0.00 0.70 0.00 0.00 175.22 175.77 2jqg s ALA 152 N 1.89 3.74 -0.28 5.36 0.00 -1.22 -0.90 121.76 130.35 2jqg s ALA 152 Ca -0.04 -1.84 -0.21 0.00 0.00 0.00 0.00 51.96 49.87 2jqg s ALA 152 Cb -0.11 -0.38 0.12 0.00 0.00 0.00 0.00 23.12 22.75 2jqg s ALA 152 CO -0.09 -0.19 0.97 0.00 0.00 0.00 0.00 175.76 176.45 2jqg n VAL 154 N 2.88 0.25 -1.92 0.00 0.31 -0.90 -2.09 118.33 116.86 2jqg n VAL 154 Ca -0.15 -0.41 0.00 0.00 -0.01 0.00 0.00 64.34 63.77 2jqg n VAL 154 Cb 0.57 -2.23 0.00 0.00 -0.91 0.00 0.00 33.84 31.26 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 7.59 0.00 0.33 2.52 -2.24 0.56 -1.26 114.28 121.77 2jqg n THR 155 Ca 0.35 0.00 0.21 0.00 -2.27 0.00 0.00 64.05 62.34 2jqg n THR 155 Cb 0.37 -1.52 1.14 0.00 -2.10 0.00 0.00 70.33 68.22 2jqg n THR 155 CO 0.00 0.00 0.00 -1.28 -0.57 0.00 0.00 175.07 173.22 2jqg h SER 156 N 0.00 0.00 -0.24 3.42 0.87 0.41 0.14 113.55 118.15 2jqg h SER 156 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2jqg h SER 156 Cb 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 2jqg h SER 156 CO 0.00 0.00 0.00 0.59 -0.53 0.00 0.00 176.83 176.89 2jqg n ASN 157 N -3.26 2.69 0.00 6.23 3.02 -1.26 -4.95 115.26 117.73 2jqg n ASN 157 Ca -0.03 -1.87 0.00 0.00 -0.03 0.00 0.00 54.58 52.65 2jqg n ASN 157 Cb 0.08 -0.15 0.00 0.00 -0.61 0.00 0.00 39.78 39.10 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 1.34 -1.15 3.55 7.41 0.00 0.49 -4.85 105.19 111.98 2jqg n GLY 158 Ca 0.17 -2.10 -0.38 0.00 0.00 0.00 0.00 46.02 43.71 2jqg n GLY 158 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2jqg n TRP 159 N 0.00 1.40 -4.69 1.61 8.01 -1.26 0.21 117.44 122.72 2jqg n TRP 159 Ca 0.00 0.13 -0.25 0.00 -1.31 0.00 0.00 57.50 56.06 2jqg n TRP 159 Cb 0.00 -2.62 -0.16 0.00 -2.01 0.00 0.00 31.31 26.52 2jqg n TRP 159 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.69 177.39 2jqg s TYR 160 N 11.27 1.59 0.03 -5.99 1.51 -0.89 0.49 117.35 125.35 2jqg s TYR 160 Ca 1.03 -0.56 0.02 0.00 -1.01 0.00 0.00 57.07 56.55 2jqg s TYR 160 Cb -0.34 -1.12 -0.04 0.00 -0.11 0.00 0.00 41.96 40.35 2jqg s TYR 160 CO 0.31 -0.26 0.04 0.00 -1.11 0.00 0.00 175.55 174.53 2jqg s ALA 161 N 0.47 3.45 -0.78 3.71 0.00 0.31 -0.75 121.76 128.17 2jqg s ALA 161 Ca -0.12 -0.96 -0.12 0.00 0.00 0.00 0.00 51.96 50.77 2jqg s ALA 161 Cb -0.15 -1.42 0.20 0.00 0.00 0.00 0.00 23.12 21.75 2jqg s ALA 161 CO 0.04 0.69 0.69 0.42 0.00 0.00 0.00 175.76 177.60 2jqg s ILE 162 N -1.22 5.20 -0.21 0.00 1.01 -0.08 -1.56 121.20 124.35 2jqg s ILE 162 Ca 0.24 -2.55 -0.21 0.00 0.00 0.00 0.00 60.65 58.12 2jqg s ILE 162 Cb -0.12 -4.24 -0.02 0.00 0.01 0.00 0.00 42.46 38.09 2jqg s ILE 162 CO 0.15 -0.99 0.66 -0.62 0.00 0.00 0.00 174.94 174.14 2jqg s ASP 163 N 1.88 6.69 0.00 3.58 2.15 -0.86 -4.56 116.67 125.57 2jqg s ASP 163 Ca 0.17 0.85 0.00 0.00 0.43 0.00 0.00 52.55 54.00 2jqg s ASP 163 Cb -0.13 -2.36 0.00 0.00 -0.30 0.00 0.00 42.92 40.13 2jqg s ASP 163 CO -0.07 -0.32 0.00 -0.67 -0.17 0.00 0.00 175.17 173.93 2jqg n ASP 164 N 5.28 0.00 -0.29 -0.34 2.03 -1.26 0.85 116.55 122.82 2jqg n ASP 164 Ca -0.00 0.00 -0.03 0.00 0.52 0.00 0.00 54.79 55.28 2jqg n ASP 164 Cb 0.49 0.00 0.08 0.00 -0.72 0.00 0.00 41.12 40.98 2jqg n ASP 164 CO 0.00 0.00 0.00 -0.33 -1.92 0.00 0.00 177.20 174.95 2jqg h GLU 165 N 0.00 1.00 -2.38 -0.67 5.08 -1.88 -0.74 114.58 114.99 2jqg h GLU 165 Ca 0.00 -0.06 0.17 0.00 -1.00 0.00 0.00 59.36 58.47 2jqg h GLU 165 Cb 0.00 -0.23 -0.07 0.00 0.50 0.00 0.00 28.75 28.96 2jqg h GLU 165 CO 0.00 0.66 0.52 0.16 -1.00 0.00 0.00 179.01 179.35 2jqg s ASP 166 N -5.87 -0.11 -0.19 1.42 1.47 0.25 -4.11 116.67 109.52 2jqg s ASP 166 Ca -0.13 -0.50 -0.12 0.00 1.18 0.00 0.00 52.55 52.98 2jqg s ASP 166 Cb 0.16 0.49 -0.05 0.00 -0.34 0.00 0.00 42.92 43.18 2jqg s ASP 166 CO 0.78 -0.93 0.20 -0.36 0.68 0.00 0.00 175.17 175.54 2jqg s PHE 167 N -2.88 3.41 0.11 2.11 0.08 -1.26 -2.02 117.98 117.53 2jqg s PHE 167 Ca 0.15 0.42 -0.02 0.00 0.12 0.00 0.00 56.93 57.60 2jqg s PHE 167 Cb -0.02 -2.25 -0.03 0.00 -0.57 0.00 0.00 43.02 40.15 2jqg s PHE 167 CO 0.03 0.23 0.07 1.52 -0.10 0.00 0.00 175.22 176.97 2jqg s TYR 168 N 0.54 0.70 -0.39 0.36 -0.85 -0.60 -4.93 117.35 112.18 2jqg s TYR 168 Ca 0.11 -1.12 -0.28 0.00 -0.52 0.00 0.00 57.07 55.27 2jqg s TYR 168 Cb -0.12 -0.39 -0.01 0.00 0.38 0.00 0.00 41.96 41.81 2jqg s TYR 168 CO 0.01 -0.51 1.72 -1.25 -1.52 0.00 0.00 175.55 174.00 2jqg s PRO 169 N -4.00 3.29 0.04 -3.49 0.04 -1.26 0.11 135.00 129.73 2jqg s PRO 169 Ca 0.19 1.20 0.00 0.00 0.04 0.00 0.00 61.00 62.43 2jqg s PRO 169 Cb 0.07 -4.18 -0.03 0.00 0.04 0.00 0.00 34.50 30.40 2jqg s PRO 169 CO -0.02 -1.91 -0.04 -1.58 0.04 0.00 0.00 177.00 173.49 2jqg s TRP 170 N 6.85 0.47 0.09 0.56 0.52 0.18 -4.81 118.94 122.80 2jqg s TRP 170 Ca 0.74 -0.71 0.02 0.00 0.02 0.00 0.00 56.10 56.16 2jqg s TRP 170 Cb -0.19 -0.32 -0.04 0.00 -1.15 0.00 0.00 33.47 31.78 2jqg s TRP 170 CO 0.32 -0.22 0.18 0.95 0.02 0.00 0.00 176.95 178.20 2jqg s THR 171 N -2.35 5.08 -0.37 2.01 -4.23 -1.26 -2.81 115.64 111.70 2jqg s THR 171 Ca -0.06 -0.60 0.02 0.00 -1.18 0.00 0.00 61.69 59.87 2jqg s THR 171 Cb -0.03 -3.50 0.43 0.00 1.34 0.00 0.00 72.50 70.74 2jqg s THR 171 CO -0.04 0.08 1.77 -0.81 -0.54 0.00 0.00 174.62 175.08 2jqg n PRO 172 N 0.14 1.99 -2.33 3.99 -0.04 -1.26 -4.86 135.00 132.63 2jqg n PRO 172 Ca -0.07 -2.22 -0.33 0.00 -0.04 0.00 0.00 63.50 60.84 2jqg n PRO 172 Cb 0.52 -1.87 -0.02 0.00 -0.04 0.00 0.00 33.50 32.09 2jqg n PRO 172 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 2jqg s ASP 173 N -0.68 6.27 0.00 3.54 2.15 -1.26 -4.68 116.67 122.01 2jqg s ASP 173 Ca 0.43 1.75 0.00 0.00 0.43 0.00 0.00 52.55 55.15 2jqg s ASP 173 Cb 0.35 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 40.44 2jqg s ASP 173 CO 0.05 -0.83 0.63 -0.81 -0.17 0.00 0.00 175.17 174.05 2jqg n PRO 174 N -1.55 0.78 -0.03 4.34 -0.04 -1.26 -4.14 135.00 133.10 2jqg n PRO 174 Ca 0.08 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.41 2jqg n PRO 174 Cb 0.53 -1.22 -0.09 0.00 -0.04 0.00 0.00 33.50 32.69 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 0.35 0.17 0.00 3.54 0.87 -1.95 -3.36 113.55 113.16 2jqg h SER 175 Ca 0.00 -0.49 0.00 0.00 -1.23 0.00 0.00 61.79 60.07 2jqg h SER 175 Cb 0.63 -0.05 0.00 0.00 -0.44 0.00 0.00 62.40 62.55 2jqg h SER 175 CO 0.00 0.63 -0.05 0.47 -0.53 0.00 0.00 176.83 177.35 2jqg n ASP 176 N -4.72 1.53 -4.39 6.23 8.00 -1.26 -5.05 116.55 116.89 2jqg n ASP 176 Ca -0.07 -2.09 -0.26 0.00 0.71 0.00 0.00 54.79 53.08 2jqg n ASP 176 Cb 0.30 -0.13 -0.12 0.00 -0.02 0.00 0.00 41.12 41.16 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 -1.19 2.18 -0.35 2.53 0.11 -1.26 0.20 120.40 122.63 2jqg s VAL 177 Ca 0.08 -1.96 0.11 0.00 -2.93 0.00 0.00 61.98 57.28 2jqg s VAL 177 Cb 0.07 -2.02 0.45 0.00 -1.53 0.00 0.00 36.38 33.35 2jqg s VAL 177 CO 0.01 -0.15 1.09 0.18 -3.33 0.00 0.00 175.10 172.90 2jqg n LEU 178 N 0.36 3.53 -3.41 2.54 7.99 -0.90 -4.66 117.00 122.44 2jqg n LEU 178 Ca -0.13 -4.46 0.02 0.00 -0.01 0.00 0.00 56.01 51.43 2jqg n LEU 178 Cb 0.56 -0.09 -0.05 0.00 -0.11 0.00 0.00 43.42 43.73 2jqg n LEU 178 CO 0.28 1.88 0.88 0.54 -1.51 0.00 0.00 177.39 179.47 2jqg s VAL 179 N -4.51 -0.10 0.33 4.08 0.11 -1.26 -1.99 120.40 117.06 2jqg s VAL 179 Ca 0.41 0.00 0.06 0.00 -2.93 0.00 0.00 61.98 59.51 2jqg s VAL 179 Cb 0.41 -1.00 -0.07 0.00 -1.53 0.00 0.00 36.38 34.19 2jqg s VAL 179 CO -0.06 0.00 0.00 0.72 -3.33 0.00 0.00 175.10 172.43 2jqg s PHE 180 N 1.72 2.11 -0.23 1.54 -0.12 0.11 -1.34 117.98 121.76 2jqg s PHE 180 Ca -0.04 -0.79 0.02 0.00 -0.05 0.00 0.00 56.93 56.07 2jqg s PHE 180 Cb -0.02 -1.35 0.05 0.00 -0.63 0.00 0.00 43.02 41.07 2jqg s PHE 180 CO -0.14 0.22 -0.10 0.08 -0.05 0.00 0.00 175.22 175.23 2jqg s VAL 181 N -3.04 1.83 0.60 -2.49 1.01 0.21 -0.73 120.40 117.78 2jqg s VAL 181 Ca 0.34 -1.29 -0.15 0.00 0.00 0.00 0.00 61.98 60.88 2jqg s VAL 181 Cb 0.07 -1.95 -0.04 0.00 0.00 0.00 0.00 36.38 34.46 2jqg s VAL 181 CO 0.15 0.04 1.04 -2.16 0.00 0.00 0.00 175.10 174.17 2jqg s PRO 182 N 1.28 3.39 0.00 2.72 0.04 -1.26 -0.60 135.00 140.57 2jqg s PRO 182 Ca -0.05 1.07 0.27 0.00 0.04 0.00 0.00 61.00 62.32 2jqg s PRO 182 Cb -0.18 -2.05 0.81 0.00 0.04 0.00 0.00 34.50 33.12 2jqg s PRO 182 CO -0.07 -0.74 1.60 2.48 0.04 0.00 0.00 177.00 180.32 2jqg n TYR 183 N -2.22 0.00 -3.74 0.56 0.18 -1.26 -4.77 117.16 105.90 2jqg n TYR 183 Ca 0.08 0.00 -0.23 0.00 1.88 0.00 0.00 57.90 59.63 2jqg n TYR 183 Cb 0.53 -0.05 0.03 0.00 -0.38 0.00 0.00 39.34 39.48 2jqg n TYR 183 CO 0.00 0.00 0.00 -0.25 -2.08 0.00 0.00 176.86 174.53 2jqg n ASP 184 N -0.06 -1.73 -4.72 9.48 8.00 -1.26 -4.96 116.55 121.30 2jqg n ASP 184 Ca 0.15 -0.82 -0.35 0.00 0.71 0.00 0.00 54.79 54.49 2jqg n ASP 184 Cb 0.38 -3.99 -0.08 0.00 -0.02 0.00 0.00 41.12 37.40 2jqg n ASP 184 CO 0.00 0.00 0.00 -1.58 -0.39 0.00 0.00 177.20 175.23 2jqg s GLN 185 N -6.11 4.15 0.33 -1.24 2.00 -1.26 -5.09 119.66 112.43 2jqg s GLN 185 Ca 0.11 -0.24 0.09 0.00 -2.00 0.00 0.00 55.36 53.33 2jqg s GLN 185 Cb -0.06 -3.38 -0.05 0.00 0.80 0.00 0.00 33.01 30.32 2jqg s GLN 185 CO 0.82 0.30 -0.02 -1.21 -0.50 0.00 0.00 175.29 174.68 2jqg s GLU 186 N 0.34 2.05 0.40 1.67 2.02 -1.26 -5.11 118.70 118.82 2jqg s GLU 186 Ca 0.07 -1.72 -0.25 0.00 0.02 0.00 0.00 54.97 53.09 2jqg s GLU 186 Cb -0.11 -1.93 -0.08 0.00 0.10 0.00 0.00 34.13 32.11 2jqg s GLU 186 CO -0.02 0.18 1.20 -1.25 0.02 0.00 0.00 175.26 175.39 2jqg s PRO 187 N -3.69 4.02 0.00 0.39 0.04 -1.26 -4.93 135.00 129.58 2jqg s PRO 187 Ca 0.34 1.91 0.26 0.00 0.04 0.00 0.00 61.00 63.55 2jqg s PRO 187 Cb -0.01 -2.69 1.08 0.00 0.04 0.00 0.00 34.50 32.92 2jqg s PRO 187 CO 0.19 -0.37 1.75 1.47 0.04 0.00 0.00 177.00 180.08 2jqg n LEU 188 N 0.07 1.27 -4.70 -3.56 -0.00 -1.26 -4.83 117.00 104.00 2jqg n LEU 188 Ca 0.04 -0.46 -0.35 0.00 -0.00 0.00 0.00 56.01 55.24 2jqg n LEU 188 Cb 0.46 -0.03 -0.09 0.00 -0.00 0.00 0.00 43.42 43.76 2jqg n LEU 188 CO 0.52 0.23 -0.22 0.20 -0.00 0.00 0.00 177.39 178.12 2jqg s ASN 189 N -1.86 5.91 0.71 1.45 0.01 -1.26 -5.10 114.94 114.81 2jqg s ASN 189 Ca 0.37 0.18 -0.03 0.00 -0.71 0.00 0.00 52.86 52.67 2jqg s ASN 189 Cb 0.20 -2.00 0.09 0.00 0.41 0.00 0.00 41.25 39.95 2jqg s ASN 189 CO 0.31 0.21 0.60 0.61 -1.51 0.00 0.00 177.10 177.32 2jqg n GLY 190 N 3.31 0.04 2.88 0.66 0.00 -1.26 -4.81 105.19 106.00 2jqg n GLY 190 Ca -0.17 -1.90 -0.01 0.00 0.00 0.00 0.00 46.02 43.94 2jqg n GLY 190 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2jqg n GLU 191 N -2.16 -2.54 -4.75 1.61 1.02 -1.26 -4.99 120.64 107.57 2jqg n GLU 191 Ca 0.09 2.15 -0.33 0.00 -0.02 0.00 0.00 57.16 59.05 2jqg n GLU 191 Cb 0.32 -3.28 -0.12 0.00 -0.02 0.00 0.00 31.44 28.34 2jqg n GLU 191 CO 0.00 0.00 0.00 -0.46 1.18 0.00 0.00 177.13 177.85 2jqg s TRP 192 N -0.89 2.83 0.07 -0.32 -0.11 -1.26 -5.10 118.94 114.16 2jqg s TRP 192 Ca -0.07 -0.10 -0.29 0.00 1.22 0.00 0.00 56.10 56.85 2jqg s TRP 192 Cb 0.00 -1.69 -0.05 0.00 -1.50 0.00 0.00 33.47 30.24 2jqg s TRP 192 CO 0.43 0.23 0.94 0.21 -4.62 0.00 0.00 176.95 174.15 2jqg s LYS 193 N -0.69 4.64 -0.00 5.86 2.20 -1.26 -5.05 119.74 125.45 2jqg s LYS 193 Ca 0.10 1.40 -0.00 0.00 -0.36 0.00 0.00 55.97 57.11 2jqg s LYS 193 Cb -0.11 -3.40 -0.04 0.00 -1.51 0.00 0.00 37.83 32.77 2jqg s LYS 193 CO 0.01 0.15 0.08 0.00 -0.36 0.00 0.00 175.35 175.23 2jqg s ALA 194 N 0.27 3.58 0.00 3.13 0.00 -1.26 -5.32 121.76 122.16 2jqg s ALA 194 Ca 0.47 -0.87 0.00 0.00 0.00 0.00 0.00 51.96 51.56 2jqg s ALA 194 Cb -0.22 -1.58 0.00 0.00 0.00 0.00 0.00 23.12 21.32 2jqg s ALA 194 CO 0.29 0.69 0.00 1.17 0.00 0.00 0.00 175.76 177.91