#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ajr s VAL 2 N 0.00 0.00 -0.16 0.61 1.01 -1.18 -4.62 120.40 116.06 2ajr s VAL 2 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 61.98 61.94 2ajr s VAL 2 Cb 0.00 -1.00 -0.03 0.00 0.00 0.00 0.00 36.38 35.35 2ajr s VAL 2 CO 0.00 0.00 -0.02 -0.22 0.00 0.00 0.00 175.10 174.86 2ajr s LEU 3 N 0.42 3.34 -0.02 3.92 2.96 -0.61 -0.70 118.68 127.98 2ajr s LEU 3 Ca 0.01 -0.09 0.04 0.00 -0.22 0.00 0.00 54.13 53.86 2ajr s LEU 3 Cb -0.05 -1.81 -0.03 0.00 0.50 0.00 0.00 46.19 44.80 2ajr s LEU 3 CO -0.06 0.17 -0.13 0.42 -1.32 0.00 0.00 176.35 175.43 2ajr s THR 4 N 0.37 3.18 -0.16 3.68 -4.23 0.17 -0.14 115.64 118.51 2ajr s THR 4 Ca -0.03 -0.79 -0.01 0.00 -1.18 0.00 0.00 61.69 59.68 2ajr s THR 4 Cb -0.14 -2.29 -0.00 0.00 1.34 0.00 0.00 72.50 71.40 2ajr s THR 4 CO 0.02 0.51 -0.13 -0.69 -0.54 0.00 0.00 174.62 173.79 2ajr s VAL 5 N -0.82 2.85 -0.35 2.29 1.01 0.64 -0.94 120.40 125.07 2ajr s VAL 5 Ca 0.13 -0.70 0.00 0.00 0.00 0.00 0.00 61.98 61.41 2ajr s VAL 5 Cb -0.11 -2.22 0.12 0.00 0.00 0.00 0.00 36.38 34.17 2ajr s VAL 5 CO 0.03 0.50 0.16 -0.89 0.00 0.00 0.00 175.10 174.90 2ajr s THR 6 N 0.87 0.88 -0.09 3.92 2.01 0.05 -3.24 115.64 120.03 2ajr s THR 6 Ca -0.04 -1.76 0.21 0.00 0.31 0.00 0.00 61.69 60.41 2ajr s THR 6 Cb -0.15 -1.64 0.21 0.00 0.01 0.00 0.00 72.50 70.92 2ajr s THR 6 CO -0.00 -0.79 1.66 -0.07 -0.69 0.00 0.00 174.62 174.72 2ajr h LEU 7 N 7.53 0.00 -6.05 4.42 3.38 -1.82 -3.22 115.31 119.55 2ajr h LEU 7 Ca -0.07 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 57.33 2ajr h LEU 7 Cb 0.98 0.00 -0.40 0.00 0.09 0.00 0.00 40.66 41.33 2ajr h LEU 7 CO 0.44 0.26 -0.99 -3.20 0.09 0.00 0.00 178.44 175.04 2ajr n ASN 8 N -3.25 0.98 -4.70 -0.43 5.15 -1.22 -3.99 115.26 107.79 2ajr n ASN 8 Ca 0.02 -2.86 -0.30 0.00 -0.60 0.00 0.00 54.58 50.84 2ajr n ASN 8 Cb 0.55 -0.65 0.15 0.00 -0.53 0.00 0.00 39.78 39.30 2ajr n ASN 8 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 2ajr s PRO 9 N -1.45 1.13 0.03 1.20 0.04 -1.26 -4.80 135.00 129.90 2ajr s PRO 9 Ca 0.36 0.90 0.01 0.00 0.04 0.00 0.00 61.00 62.30 2ajr s PRO 9 Cb 0.16 -1.79 -0.02 0.00 0.04 0.00 0.00 34.50 32.89 2ajr s PRO 9 CO -0.09 -2.35 -0.05 0.00 0.04 0.00 0.00 177.00 174.55 2ajr s ALA 10 N -2.88 0.36 -0.32 8.56 0.00 -0.88 -3.98 121.76 122.62 2ajr s ALA 10 Ca 0.64 -0.74 -0.20 0.00 0.00 0.00 0.00 51.96 51.65 2ajr s ALA 10 Cb -0.19 0.12 -0.01 0.00 0.00 0.00 0.00 23.12 23.05 2ajr s ALA 10 CO 0.58 -0.13 0.63 -0.51 0.00 0.00 0.00 175.76 176.32 2ajr s LEU 11 N -1.70 4.18 -0.00 0.00 1.43 -0.07 -0.46 118.68 122.05 2ajr s LEU 11 Ca -0.11 0.33 -0.27 0.00 -1.03 0.00 0.00 54.13 53.06 2ajr s LEU 11 Cb -0.08 -2.80 -0.04 0.00 0.03 0.00 0.00 46.19 43.30 2ajr s LEU 11 CO -0.01 -0.51 0.83 -1.81 0.23 0.00 0.00 176.35 175.08 2ajr s ASP 12 N 1.69 7.21 -0.34 2.29 1.01 -0.13 -0.29 116.67 128.12 2ajr s ASP 12 Ca 0.25 1.46 0.01 0.00 0.71 0.00 0.00 52.55 54.98 2ajr s ASP 12 Cb -0.15 -2.49 0.09 0.00 1.01 0.00 0.00 42.92 41.38 2ajr s ASP 12 CO 0.13 -0.13 0.05 -0.60 0.21 0.00 0.00 175.17 174.83 2ajr s ARG 13 N 0.62 1.90 -0.17 8.23 6.06 0.70 -1.47 118.95 134.82 2ajr s ARG 13 Ca 0.44 -1.67 -0.13 0.00 -2.50 0.00 0.00 55.73 51.86 2ajr s ARG 13 Cb -0.20 -3.25 -0.05 0.00 0.06 0.00 0.00 34.95 31.52 2ajr s ARG 13 CO 0.24 -0.86 0.26 -1.21 -2.50 0.00 0.00 175.30 171.23 2ajr s GLU 14 N 1.05 4.25 -0.07 5.12 2.02 -1.26 -0.72 118.70 129.08 2ajr s GLU 14 Ca 0.04 0.03 0.01 0.00 0.02 0.00 0.00 54.97 55.08 2ajr s GLU 14 Cb -0.20 -3.43 0.02 0.00 0.10 0.00 0.00 34.13 30.62 2ajr s GLU 14 CO -0.05 0.25 -0.10 0.42 0.02 0.00 0.00 175.26 175.79 2ajr s ILE 15 N 0.46 1.03 -0.39 -1.63 1.01 -0.26 -4.98 121.20 116.45 2ajr s ILE 15 Ca 0.15 -0.39 -0.08 0.00 0.00 0.00 0.00 60.65 60.33 2ajr s ILE 15 Cb -0.13 -0.98 0.07 0.00 0.01 0.00 0.00 42.46 41.43 2ajr s ILE 15 CO 0.03 0.34 0.20 -0.36 0.00 0.00 0.00 174.94 175.15 2ajr s PHE 16 N 0.94 3.33 -0.13 3.97 0.08 -1.26 -0.73 117.98 124.17 2ajr s PHE 16 Ca -0.10 -1.54 -0.01 0.00 0.12 0.00 0.00 56.93 55.40 2ajr s PHE 16 Cb -0.15 -2.72 0.04 0.00 -0.57 0.00 0.00 43.02 39.62 2ajr s PHE 16 CO 0.00 -0.81 -0.04 0.42 -0.10 0.00 0.00 175.22 174.70 2ajr s ILE 17 N 1.40 0.86 0.28 0.64 1.01 -0.90 -5.00 121.20 119.50 2ajr s ILE 17 Ca 0.02 -0.36 -0.28 0.00 0.00 0.00 0.00 60.65 60.03 2ajr s ILE 17 Cb -0.22 -1.02 -0.09 0.00 0.01 0.00 0.00 42.46 41.14 2ajr s ILE 17 CO 0.02 0.19 0.95 -1.61 0.00 0.00 0.00 174.94 174.49 2ajr s GLU 18 N 1.75 4.72 -1.21 2.79 2.02 -1.26 -3.91 118.70 123.60 2ajr s GLU 18 Ca 0.03 1.44 -0.04 0.00 0.02 0.00 0.00 54.97 56.42 2ajr s GLU 18 Cb -0.14 -3.07 -0.01 0.00 0.10 0.00 0.00 34.13 31.01 2ajr s GLU 18 CO -0.07 0.39 0.82 -3.47 0.02 0.00 0.00 175.26 172.95 2ajr n ASP 19 N 1.07 -2.97 -4.67 -0.19 2.03 -1.26 -4.93 116.55 105.62 2ajr n ASP 19 Ca -0.00 -0.78 -0.43 0.00 0.52 0.00 0.00 54.79 54.10 2ajr n ASP 19 Cb 0.48 -4.44 -0.02 0.00 -0.72 0.00 0.00 41.12 36.42 2ajr n ASP 19 CO 0.00 0.00 0.00 0.12 -1.92 0.00 0.00 177.20 175.40 2ajr s PHE 20 N -3.52 3.14 0.07 -0.67 5.36 -1.25 -5.04 117.98 116.06 2ajr s PHE 20 Ca 0.15 1.24 0.03 0.00 -0.96 0.00 0.00 56.93 57.39 2ajr s PHE 20 Cb -0.03 -3.39 -0.03 0.00 -0.34 0.00 0.00 43.02 39.23 2ajr s PHE 20 CO 0.79 -1.15 -0.09 -0.65 -1.46 0.00 0.00 175.22 172.66 2ajr s GLN 21 N 2.85 0.68 0.50 10.12 -1.52 -1.26 -5.11 119.66 125.92 2ajr s GLN 21 Ca 0.52 -0.95 -0.23 0.00 -1.95 0.00 0.00 55.36 52.75 2ajr s GLN 21 Cb -0.21 -0.41 -0.07 0.00 -0.22 0.00 0.00 33.01 32.11 2ajr s GLN 21 CO 0.16 0.07 1.37 0.28 -0.25 0.00 0.00 175.29 176.91 2ajr n VAL 22 N 1.05 3.34 -1.50 1.09 0.31 -1.26 -3.81 118.33 117.54 2ajr n VAL 22 Ca -0.20 -0.50 -0.01 0.00 -0.01 0.00 0.00 64.34 63.62 2ajr n VAL 22 Cb 0.56 -1.71 -0.00 0.00 -0.91 0.00 0.00 33.84 31.78 2ajr n VAL 22 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 2ajr n ASN 23 N -0.59 -2.26 -4.23 4.52 5.15 -1.26 -5.05 115.26 111.55 2ajr n ASN 23 Ca 0.08 0.01 -0.18 0.00 -0.60 0.00 0.00 54.58 53.90 2ajr n ASN 23 Cb 0.43 -0.74 -0.11 0.00 -0.53 0.00 0.00 39.78 38.83 2ajr n ASN 23 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 2ajr s ARG 24 N -3.02 0.99 -0.01 1.20 0.52 -1.25 -5.14 118.95 112.25 2ajr s ARG 24 Ca 0.00 -1.22 -0.20 0.00 -0.52 0.00 0.00 55.73 53.79 2ajr s ARG 24 Cb 0.00 -0.85 -0.05 0.00 0.52 0.00 0.00 34.95 34.56 2ajr s ARG 24 CO 0.00 0.16 0.59 -1.17 0.02 0.00 0.00 175.30 174.90 2ajr s LEU 25 N -2.43 4.41 -0.21 2.53 2.96 -1.26 -5.04 118.68 119.64 2ajr s LEU 25 Ca 0.08 1.14 0.01 0.00 -0.22 0.00 0.00 54.13 55.15 2ajr s LEU 25 Cb -0.05 -2.91 0.04 0.00 0.50 0.00 0.00 46.19 43.77 2ajr s LEU 25 CO 0.03 0.10 -0.14 -0.31 -1.32 0.00 0.00 176.35 174.71 2ajr s TYR 26 N -0.15 2.75 -0.47 5.38 2.02 -1.26 -5.08 117.35 120.53 2ajr s TYR 26 Ca 0.31 -1.79 -0.24 0.00 -0.37 0.00 0.00 57.07 54.98 2ajr s TYR 26 Cb -0.18 -1.80 0.03 0.00 -0.40 0.00 0.00 41.96 39.61 2ajr s TYR 26 CO 0.17 -0.80 0.84 1.03 -1.57 0.00 0.00 175.55 175.22 2ajr s ARG 27 N 1.29 3.41 0.51 -0.62 0.52 -1.26 -5.05 118.95 117.75 2ajr s ARG 27 Ca -0.01 -0.10 -0.22 0.00 -0.52 0.00 0.00 55.73 54.88 2ajr s ARG 27 Cb -0.16 -3.96 -0.06 0.00 0.52 0.00 0.00 34.95 31.29 2ajr s ARG 27 CO -0.09 -1.21 1.27 0.42 0.02 0.00 0.00 175.30 175.71 2ajr s ILE 28 N 3.49 2.55 0.49 1.52 -1.09 -1.26 -4.98 121.20 121.92 2ajr s ILE 28 Ca 0.31 0.41 -0.22 0.00 -2.23 0.00 0.00 60.65 58.92 2ajr s ILE 28 Cb -0.12 -3.21 -0.07 0.00 -1.58 0.00 0.00 42.46 37.49 2ajr s ILE 28 CO 0.23 -0.01 1.15 0.54 -1.23 0.00 0.00 174.94 175.62 2ajr s ASN 29 N -1.17 6.02 0.61 3.58 2.20 -1.26 -4.89 114.94 120.03 2ajr s ASN 29 Ca 0.68 2.26 0.28 0.00 -0.94 0.00 0.00 52.86 55.14 2ajr s ASN 29 Cb -0.35 -2.60 1.38 0.00 -2.00 0.00 0.00 41.25 37.69 2ajr s ASN 29 CO 0.41 -1.02 1.79 0.44 -2.94 0.00 0.00 177.10 175.79 2ajr h ASP 30 N 1.77 0.00 0.40 3.54 5.19 -2.06 -1.51 116.42 123.75 2ajr h ASP 30 Ca -0.50 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.91 2ajr h ASP 30 Cb 1.25 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.76 2ajr h ASP 30 CO 0.59 0.00 -0.75 0.18 -3.12 0.00 0.00 179.24 176.14 2ajr n LEU 31 N -3.45 0.65 -4.48 1.55 4.32 -1.26 -4.66 117.00 109.67 2ajr n LEU 31 Ca 0.08 -0.10 -0.43 0.00 -0.02 0.00 0.00 56.01 55.54 2ajr n LEU 31 Cb 0.74 -0.15 -0.06 0.00 -1.62 0.00 0.00 43.42 42.33 2ajr n LEU 31 CO 0.23 0.12 0.45 -0.44 -1.22 0.00 0.00 177.39 176.54 2ajr s SER 32 N -3.31 6.27 0.36 -1.43 0.01 -0.57 -5.04 113.70 109.98 2ajr s SER 32 Ca 0.08 -0.67 -0.09 0.00 1.31 0.00 0.00 55.95 56.59 2ajr s SER 32 Cb 0.16 -2.33 -0.06 0.00 0.21 0.00 0.00 66.02 64.00 2ajr s SER 32 CO 0.76 -0.96 0.69 -0.54 0.41 0.00 0.00 173.24 173.60 2ajr s LYS 33 N 3.01 3.73 -0.14 12.44 3.01 -1.26 -4.78 119.74 135.75 2ajr s LYS 33 Ca 0.20 0.31 -0.31 0.00 -1.01 0.00 0.00 55.97 55.16 2ajr s LYS 33 Cb -0.17 -2.49 -0.09 0.00 -1.01 0.00 0.00 37.83 34.08 2ajr s LYS 33 CO 0.15 0.06 2.07 2.41 0.51 0.00 0.00 175.35 180.56 2ajr n THR 34 N -1.12 0.49 -3.95 2.17 -1.04 -1.26 -5.15 114.28 104.42 2ajr n THR 34 Ca 0.01 -0.26 0.00 0.00 -2.04 0.00 0.00 64.05 61.76 2ajr n THR 34 Cb 0.54 -2.19 0.00 0.00 -1.82 0.00 0.00 70.33 66.85 2ajr n THR 34 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2ajr n GLN 35 N 7.85 0.37 -3.51 -2.82 6.02 -1.26 -5.24 117.38 118.78 2ajr n GLN 35 Ca 0.27 0.00 -0.16 0.00 -0.01 0.00 0.00 57.00 57.11 2ajr n GLN 35 Cb 0.37 0.00 -0.05 0.00 1.02 0.00 0.00 30.24 31.58 2ajr n GLN 35 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 2ajr s SER 37 N -0.91 -0.59 0.29 1.08 1.04 -0.54 -4.75 113.70 109.33 2ajr s SER 37 Ca 0.00 0.44 -0.30 0.00 0.48 0.00 0.00 55.95 56.58 2ajr s SER 37 Cb 0.00 0.54 -0.11 0.00 0.10 0.00 0.00 66.02 66.55 2ajr s SER 37 CO 0.00 -0.71 1.50 -2.84 0.98 0.00 0.00 173.24 172.18 2ajr s PRO 38 N -2.00 4.19 0.20 4.02 0.02 -1.26 -0.95 135.00 139.22 2ajr s PRO 38 Ca -0.07 2.46 -0.01 0.00 0.02 0.00 0.00 61.00 63.39 2ajr s PRO 38 Cb -0.00 -3.05 0.00 0.00 0.02 0.00 0.00 34.50 31.47 2ajr s PRO 38 CO 0.03 -0.51 0.28 0.41 -0.33 0.00 0.00 177.00 176.88 2ajr n GLY 39 N 1.80 2.56 0.00 0.52 0.00 0.39 -4.78 105.19 105.69 2ajr n GLY 39 Ca 0.06 -1.52 0.00 0.00 0.00 0.00 0.00 46.02 44.56 2ajr n GLY 39 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ajr n GLY 40 N -0.34 2.43 0.20 -0.02 0.00 -1.26 -2.08 105.19 104.12 2ajr n GLY 40 Ca 0.00 -1.71 -0.14 0.00 0.00 0.00 0.00 46.02 44.17 2ajr n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2ajr h LYS 41 N 0.00 -0.40 -0.98 1.61 1.57 -1.91 -0.66 116.57 115.80 2ajr h LYS 41 Ca 0.00 0.03 0.06 0.00 -1.87 0.00 0.00 60.65 58.87 2ajr h LYS 41 Cb 0.00 0.09 -0.06 0.00 0.08 0.00 0.00 32.23 32.34 2ajr h LYS 41 CO 0.00 -0.15 0.63 0.78 -0.57 0.00 0.00 179.45 180.14 2ajr h GLY 42 N -0.61 1.48 1.03 3.86 0.00 -1.74 0.28 103.07 107.37 2ajr h GLY 42 Ca -0.04 -0.46 -0.07 0.00 0.00 0.00 0.00 47.33 46.75 2ajr h GLY 42 CO 0.07 0.34 0.10 -2.22 0.00 0.00 0.00 176.54 174.82 2ajr h ILE 43 N 1.15 1.26 -0.02 2.60 2.04 -1.80 -0.89 117.51 121.86 2ajr h ILE 43 Ca 0.42 -0.99 -0.05 0.00 1.00 0.00 0.00 64.86 65.23 2ajr h ILE 43 Cb 0.14 0.75 -0.01 0.00 -0.74 0.00 0.00 36.82 36.96 2ajr h ILE 43 CO -0.17 0.37 -0.24 0.78 0.00 0.00 0.00 178.15 178.89 2ajr h ASN 44 N 0.89 0.03 -0.24 1.72 2.35 -0.26 -1.82 115.58 118.25 2ajr h ASN 44 Ca 0.18 -0.01 -0.06 0.00 -0.55 0.00 0.00 56.30 55.86 2ajr h ASN 44 Cb 0.42 -0.01 -0.01 0.00 0.05 0.00 0.00 38.32 38.78 2ajr h ASN 44 CO 0.01 0.27 -0.09 0.58 -1.65 0.00 0.00 177.43 176.55 2ajr h VAL 45 N 0.03 1.30 -0.74 2.81 2.07 -0.15 -0.53 116.25 121.04 2ajr h VAL 45 Ca 0.00 -1.14 0.10 0.00 0.82 0.00 0.00 66.70 66.48 2ajr h VAL 45 Cb 0.44 1.55 -0.07 0.00 -1.52 0.00 0.00 31.29 31.68 2ajr h VAL 45 CO 0.03 0.35 0.37 0.28 0.02 0.00 0.00 177.57 178.63 2ajr h SER 46 N 0.21 0.48 0.11 0.57 0.02 -0.91 0.17 113.55 114.20 2ajr h SER 46 Ca 0.06 0.06 -0.01 0.00 -0.84 0.00 0.00 61.79 61.06 2ajr h SER 46 Cb 0.58 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.10 2ajr h SER 46 CO 0.03 0.27 -0.05 0.40 -1.14 0.00 0.00 176.83 176.34 2ajr h ILE 47 N 0.62 1.00 -0.73 3.27 2.04 -1.10 -0.85 117.51 121.77 2ajr h ILE 47 Ca 0.37 -0.41 0.13 0.00 1.00 0.00 0.00 64.86 65.94 2ajr h ILE 47 Cb 0.40 1.26 -0.09 0.00 -0.74 0.00 0.00 36.82 37.66 2ajr h ILE 47 CO -0.28 0.10 0.30 0.00 0.00 0.00 0.00 178.15 178.27 2ajr h ALA 48 N 0.53 1.00 -0.43 1.87 0.00 -0.63 -1.26 119.26 120.35 2ajr h ALA 48 Ca -0.01 0.10 -0.12 0.00 0.00 0.00 0.00 54.91 54.87 2ajr h ALA 48 Cb 0.28 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 2ajr h ALA 48 CO 0.02 -0.18 -0.22 -0.07 0.00 0.00 0.00 179.25 178.81 2ajr h LEU 49 N 0.47 0.89 -1.53 0.00 3.38 -0.42 -2.60 115.31 115.49 2ajr h LEU 49 Ca 0.39 -0.33 -0.03 0.00 0.09 0.00 0.00 57.88 58.00 2ajr h LEU 49 Cb 0.54 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 2ajr h LEU 49 CO -0.37 1.07 0.00 0.77 0.09 0.00 0.00 178.44 180.01 2ajr h SER 50 N 0.75 0.28 0.56 -0.43 4.64 -0.04 -0.26 113.55 119.06 2ajr h SER 50 Ca 0.10 -0.04 -0.06 0.00 -0.47 0.00 0.00 61.79 61.32 2ajr h SER 50 Cb 0.76 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 62.77 2ajr h SER 50 CO 0.06 0.33 -0.29 0.11 -0.87 0.00 0.00 176.83 176.17 2ajr h LYS 51 N 0.30 0.00 -0.45 4.77 1.79 -0.95 -2.05 116.57 119.98 2ajr h LYS 51 Ca 0.07 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.54 2ajr h LYS 51 Cb 0.20 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.85 2ajr h LYS 51 CO 0.00 0.29 0.00 1.28 -1.08 0.00 0.00 179.45 179.95 2ajr n LEU 52 N -3.74 2.73 0.00 2.94 4.77 -0.47 -4.73 117.00 118.50 2ajr n LEU 52 Ca -0.01 -1.30 0.00 0.00 -0.03 0.00 0.00 56.01 54.66 2ajr n LEU 52 Cb 0.40 -0.30 0.00 0.00 -2.33 0.00 0.00 43.42 41.19 2ajr n LEU 52 CO 0.35 0.65 0.00 0.61 -1.33 0.00 0.00 177.39 177.68 2ajr n GLY 53 N 1.33 0.58 3.45 -0.72 0.00 -0.77 -5.03 105.19 104.02 2ajr n GLY 53 Ca 0.18 -0.28 -0.36 0.00 0.00 0.00 0.00 46.02 45.56 2ajr n GLY 53 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2ajr s VAL 54 N -2.00 4.14 0.55 1.61 1.01 -0.23 -4.98 120.40 120.50 2ajr s VAL 54 Ca 0.00 -0.24 -0.17 0.00 0.00 0.00 0.00 61.98 61.57 2ajr s VAL 54 Cb 0.00 -2.91 -0.06 0.00 0.00 0.00 0.00 36.38 33.41 2ajr s VAL 54 CO 0.00 0.39 1.03 -2.16 0.00 0.00 0.00 175.10 174.36 2ajr s PRO 55 N 1.30 3.61 0.04 2.72 0.04 -1.26 -3.17 135.00 138.28 2ajr s PRO 55 Ca 0.04 1.16 -0.09 0.00 0.04 0.00 0.00 61.00 62.15 2ajr s PRO 55 Cb -0.15 -2.08 0.00 0.00 0.04 0.00 0.00 34.50 32.32 2ajr s PRO 55 CO 0.02 -0.57 0.20 -1.54 0.04 0.00 0.00 177.00 175.15 2ajr s SER 56 N -2.70 0.04 -0.20 6.66 1.04 -0.69 -3.09 113.70 114.75 2ajr s SER 56 Ca 0.63 -0.39 -0.14 0.00 0.48 0.00 0.00 55.95 56.53 2ajr s SER 56 Cb -0.14 0.29 -0.04 0.00 0.10 0.00 0.00 66.02 66.23 2ajr s SER 56 CO 0.31 -0.57 0.30 -0.69 0.98 0.00 0.00 173.24 173.57 2ajr s VAL 57 N -2.67 5.28 -0.24 5.02 1.01 0.12 -0.96 120.40 127.96 2ajr s VAL 57 Ca -0.04 0.50 -0.07 0.00 0.00 0.00 0.00 61.98 62.37 2ajr s VAL 57 Cb -0.01 -3.63 -0.03 0.00 0.00 0.00 0.00 36.38 32.71 2ajr s VAL 57 CO -0.04 0.32 0.07 0.00 0.00 0.00 0.00 175.10 175.44 2ajr s ALA 58 N 0.99 3.19 0.42 5.51 0.00 -0.38 -0.65 121.76 130.84 2ajr s ALA 58 Ca 0.15 -1.07 0.03 0.00 0.00 0.00 0.00 51.96 51.07 2ajr s ALA 58 Cb -0.14 -2.05 -0.03 0.00 0.00 0.00 0.00 23.12 20.91 2ajr s ALA 58 CO 0.06 -0.38 0.11 -0.08 0.00 0.00 0.00 175.76 175.47 2ajr s THR 59 N 1.41 0.73 -5.00 0.00 -1.32 -0.12 -0.63 115.64 110.71 2ajr s THR 59 Ca 0.05 -2.00 0.00 0.00 -1.21 0.00 0.00 61.69 58.53 2ajr s THR 59 Cb -0.15 -2.36 0.00 0.00 -1.51 0.00 0.00 72.50 68.48 2ajr s THR 59 CO 0.04 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.06 2ajr n GLY 60 N -0.95 0.80 3.43 6.08 0.00 -1.26 -0.77 105.19 112.53 2ajr n GLY 60 Ca -0.08 -1.81 -0.33 0.00 0.00 0.00 0.00 46.02 43.81 2ajr n GLY 60 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2ajr s PHE 61 N -2.80 2.77 0.03 1.61 0.08 -1.21 -0.49 117.98 117.97 2ajr s PHE 61 Ca 0.00 -0.38 0.01 0.00 0.12 0.00 0.00 56.93 56.69 2ajr s PHE 61 Cb 0.00 -1.74 -0.02 0.00 -0.57 0.00 0.00 43.02 40.69 2ajr s PHE 61 CO 0.00 0.00 -0.06 0.08 -0.10 0.00 0.00 175.22 175.15 2ajr s VAL 62 N -0.21 0.36 0.01 -0.44 1.01 -0.78 -4.40 120.40 115.96 2ajr s VAL 62 Ca 0.01 -1.00 -0.27 0.00 0.00 0.00 0.00 61.98 60.72 2ajr s VAL 62 Cb -0.13 -0.46 0.06 0.00 0.00 0.00 0.00 36.38 35.85 2ajr s VAL 62 CO 0.03 -0.43 0.61 -0.83 0.00 0.00 0.00 175.10 174.48 2ajr s GLY 63 N -1.52 -0.53 0.00 4.51 0.00 -1.26 -0.81 107.32 107.72 2ajr s GLY 63 Ca -0.12 0.95 0.00 0.00 0.00 0.00 0.00 44.72 45.54 2ajr s GLY 63 CO -0.00 0.61 0.00 0.61 0.00 0.00 0.00 173.10 174.32 2ajr n GLY 64 N 0.58 0.52 1.03 0.20 0.00 -1.04 -1.56 105.19 104.91 2ajr n GLY 64 Ca -0.19 -0.85 0.00 0.00 0.00 0.00 0.00 46.02 44.98 2ajr n GLY 64 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 2ajr n TYR 65 N 0.00 0.00 0.00 1.61 9.36 -1.26 -1.60 117.16 125.27 2ajr n TYR 65 Ca 0.00 -0.43 0.00 0.00 3.32 0.00 0.00 57.90 60.79 2ajr n TYR 65 Cb 0.00 -0.23 0.00 0.00 -0.63 0.00 0.00 39.34 38.48 2ajr n TYR 65 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 2ajr n GLY 67 N 0.65 0.00 0.34 2.98 0.00 -0.60 -1.97 105.19 106.58 2ajr n GLY 67 Ca 0.00 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.17 2ajr n GLY 67 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2ajr h LYS 68 N 0.00 0.58 -0.16 1.61 3.64 -1.54 -1.07 116.57 119.63 2ajr h LYS 68 Ca 0.00 -0.04 -0.06 0.00 -1.27 0.00 0.00 60.65 59.29 2ajr h LYS 68 Cb 0.00 -0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 31.69 2ajr h LYS 68 CO 0.00 0.39 -0.13 0.82 -2.27 0.00 0.00 179.45 178.26 2ajr h ILE 69 N 0.60 1.34 -0.33 2.00 2.04 -1.69 0.62 117.51 122.09 2ajr h ILE 69 Ca 0.60 -1.25 0.04 0.00 1.00 0.00 0.00 64.86 65.25 2ajr h ILE 69 Cb 1.06 1.82 -0.04 0.00 -0.74 0.00 0.00 36.82 38.92 2ajr h ILE 69 CO -0.45 0.37 0.08 0.25 0.00 0.00 0.00 178.15 178.40 2ajr h LEU 70 N 0.01 0.05 -0.35 1.44 6.46 -1.67 0.84 115.31 122.08 2ajr h LEU 70 Ca 0.03 0.05 -0.08 0.00 -0.12 0.00 0.00 57.88 57.76 2ajr h LEU 70 Cb 0.64 0.06 -0.01 0.00 -0.73 0.00 0.00 40.66 40.62 2ajr h LEU 70 CO 0.03 0.06 -0.08 0.58 -0.62 0.00 0.00 178.44 178.42 2ajr h VAL 71 N 0.20 1.28 -0.42 1.05 2.07 -1.12 0.14 116.25 119.46 2ajr h VAL 71 Ca 0.15 -1.13 -0.06 0.00 0.82 0.00 0.00 66.70 66.48 2ajr h VAL 71 Cb 0.15 1.29 -0.02 0.00 -1.52 0.00 0.00 31.29 31.20 2ajr h VAL 71 CO -0.19 0.37 0.02 -0.33 0.02 0.00 0.00 177.57 177.47 2ajr h GLU 72 N 0.47 0.72 -0.55 1.57 5.08 -0.63 -2.24 114.58 119.01 2ajr h GLU 72 Ca 0.09 -0.22 -0.09 0.00 -1.00 0.00 0.00 59.36 58.14 2ajr h GLU 72 Cb 0.58 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.74 2ajr h GLU 72 CO 0.03 0.79 -0.01 0.93 -1.00 0.00 0.00 179.01 179.75 2ajr h GLU 73 N 0.56 0.97 -0.78 2.33 4.39 -0.73 -2.73 114.58 118.58 2ajr h GLU 73 Ca 0.12 -0.32 -0.04 0.00 0.34 0.00 0.00 59.36 59.47 2ajr h GLU 73 Cb 0.45 -0.08 -0.04 0.00 -0.10 0.00 0.00 28.75 28.98 2ajr h GLU 73 CO 0.02 0.98 0.34 1.25 -1.16 0.00 0.00 179.01 180.44 2ajr h LEU 74 N 0.85 1.06 -1.10 1.33 5.85 -0.60 -2.12 115.31 120.58 2ajr h LEU 74 Ca 0.15 -0.16 -0.04 0.00 0.84 0.00 0.00 57.88 58.68 2ajr h LEU 74 Cb 0.55 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.28 2ajr h LEU 74 CO 0.03 0.93 0.19 0.03 -0.34 0.00 0.00 178.44 179.28 2ajr h ARG 75 N 1.13 0.83 0.00 1.25 3.08 -1.32 -2.63 114.38 116.72 2ajr h ARG 75 Ca 0.26 -0.14 -0.01 0.00 0.07 0.00 0.00 59.98 60.16 2ajr h ARG 75 Cb 0.18 -0.14 -0.00 0.00 0.08 0.00 0.00 29.97 30.09 2ajr h ARG 75 CO -0.03 0.70 -0.06 0.87 -1.07 0.00 0.00 179.97 180.39 2ajr h LYS 76 N 0.81 0.00 -0.28 0.04 1.57 -1.07 -3.25 116.57 114.39 2ajr h LYS 76 Ca 0.19 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.83 2ajr h LYS 76 Cb 0.21 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.52 2ajr h LYS 76 CO -0.01 0.06 -0.37 0.82 -0.57 0.00 0.00 179.45 179.38 2ajr h ILE 77 N 0.00 1.30 -1.72 1.86 2.04 -1.31 -3.47 117.51 116.21 2ajr h ILE 77 Ca -0.00 -1.55 0.03 0.00 1.00 0.00 0.00 64.86 64.34 2ajr h ILE 77 Cb 0.37 1.63 -0.23 0.00 -0.74 0.00 0.00 36.82 37.86 2ajr h ILE 77 CO 0.01 0.50 0.40 -0.55 0.00 0.00 0.00 178.15 178.50 2ajr s SER 78 N -6.66 -0.50 0.00 1.72 0.15 -1.23 -5.00 113.70 102.19 2ajr s SER 78 Ca -0.12 0.72 0.24 0.00 0.70 0.00 0.00 55.95 57.50 2ajr s SER 78 Cb 0.09 0.65 1.17 0.00 -1.71 0.00 0.00 66.02 66.22 2ajr s SER 78 CO 0.85 -0.34 1.80 0.29 1.20 0.00 0.00 173.24 177.04 2ajr n LYS 79 N 1.40 0.25 0.25 5.44 5.02 -1.26 -3.05 118.16 126.21 2ajr n LYS 79 Ca -0.13 0.06 0.16 0.00 -2.02 0.00 0.00 58.31 56.39 2ajr n LYS 79 Cb 0.57 -1.50 0.65 0.00 -0.02 0.00 0.00 35.03 34.72 2ajr n LYS 79 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 2ajr h LEU 80 N 0.00 0.00 -8.74 -0.35 3.38 -1.94 -3.41 115.31 104.25 2ajr h LEU 80 Ca 0.00 0.00 -0.67 0.00 0.09 0.00 0.00 57.88 57.30 2ajr h LEU 80 Cb 0.28 0.00 -0.18 0.00 0.09 0.00 0.00 40.66 40.86 2ajr h LEU 80 CO 0.00 0.00 -0.40 -0.63 0.09 0.00 0.00 178.44 177.50 2ajr s ILE 81 N -3.60 5.24 -0.18 1.22 1.01 -1.17 -1.71 121.20 122.01 2ajr s ILE 81 Ca 0.02 -0.06 -0.10 0.00 0.00 0.00 0.00 60.65 60.50 2ajr s ILE 81 Cb 0.09 -3.75 -0.05 0.00 0.01 0.00 0.00 42.46 38.76 2ajr s ILE 81 CO 0.52 -0.02 0.17 0.42 0.00 0.00 0.00 174.94 176.02 2ajr s THR 82 N 1.86 5.40 0.05 2.92 -4.23 -0.14 -4.89 115.64 116.61 2ajr s THR 82 Ca 0.09 0.27 -0.18 0.00 -1.18 0.00 0.00 61.69 60.69 2ajr s THR 82 Cb -0.17 -3.50 -0.06 0.00 1.34 0.00 0.00 72.50 70.11 2ajr s THR 82 CO 0.11 0.45 0.52 0.42 -0.54 0.00 0.00 174.62 175.58 2ajr s THR 83 N 0.23 4.83 -0.38 3.99 -4.23 -1.26 -1.25 115.64 117.56 2ajr s THR 83 Ca 0.10 1.10 0.11 0.00 -1.18 0.00 0.00 61.69 61.83 2ajr s THR 83 Cb -0.12 -3.84 0.39 0.00 1.34 0.00 0.00 72.50 70.28 2ajr s THR 83 CO -0.00 0.56 1.13 -3.20 -0.54 0.00 0.00 174.62 172.57 2ajr n ASN 84 N 1.76 -0.69 -4.86 3.99 4.05 0.20 -4.91 115.26 114.80 2ajr n ASN 84 Ca -0.11 -2.80 -0.31 0.00 0.45 0.00 0.00 54.58 51.80 2ajr n ASN 84 Cb 0.51 0.53 -0.03 0.00 1.23 0.00 0.00 39.78 42.03 2ajr n ASN 84 CO 0.00 0.00 0.00 -0.36 -3.05 0.00 0.00 177.26 173.85 2ajr s PHE 85 N -1.06 3.48 -0.19 1.20 0.08 -1.25 -4.43 117.98 115.82 2ajr s PHE 85 Ca 0.25 1.26 -0.16 0.00 0.12 0.00 0.00 56.93 58.41 2ajr s PHE 85 Cb 0.39 -2.63 -0.04 0.00 -0.57 0.00 0.00 43.02 40.17 2ajr s PHE 85 CO -0.04 -0.30 0.38 0.08 -0.10 0.00 0.00 175.22 175.24 2ajr s VAL 86 N -2.59 5.22 -0.11 -0.44 1.01 0.35 -4.93 120.40 118.92 2ajr s VAL 86 Ca 0.55 0.68 -0.20 0.00 0.00 0.00 0.00 61.98 63.01 2ajr s VAL 86 Cb -0.10 -3.71 -0.04 0.00 0.00 0.00 0.00 36.38 32.53 2ajr s VAL 86 CO 0.34 0.28 0.57 -0.31 0.00 0.00 0.00 175.10 175.98 2ajr s TYR 87 N 1.12 3.52 0.27 5.22 2.02 -1.26 -1.86 117.35 126.38 2ajr s TYR 87 Ca 0.19 1.02 0.09 0.00 -0.37 0.00 0.00 57.07 58.00 2ajr s TYR 87 Cb -0.14 -2.67 -0.05 0.00 -0.40 0.00 0.00 41.96 38.70 2ajr s TYR 87 CO 0.07 0.11 -0.14 0.14 -1.57 0.00 0.00 175.55 174.16 2ajr s VAL 88 N 0.81 2.07 0.35 0.71 -7.23 0.01 -4.95 120.40 112.17 2ajr s VAL 88 Ca 0.30 -2.26 -0.26 0.00 -1.81 0.00 0.00 61.98 57.95 2ajr s VAL 88 Cb -0.16 -2.33 -0.09 0.00 0.56 0.00 0.00 36.38 34.36 2ajr s VAL 88 CO 0.13 -0.39 1.05 -0.70 -0.31 0.00 0.00 175.10 174.88 2ajr s GLU 89 N -3.61 4.39 0.00 4.82 2.56 -1.26 -3.91 118.70 121.69 2ajr s GLU 89 Ca 0.28 1.58 0.00 0.00 0.00 0.00 0.00 54.97 56.84 2ajr s GLU 89 Cb -0.01 -2.81 0.00 0.00 2.00 0.00 0.00 34.13 33.31 2ajr s GLU 89 CO 0.12 0.05 0.00 0.41 -0.56 0.00 0.00 175.26 175.28 2ajr n GLY 90 N 0.69 2.24 3.83 -1.50 0.00 -1.26 -4.67 105.19 104.52 2ajr n GLY 90 Ca 0.02 -1.88 -0.37 0.00 0.00 0.00 0.00 46.02 43.79 2ajr n GLY 90 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2ajr s GLU 91 N -3.14 4.07 0.52 1.61 0.41 -1.26 -2.51 118.70 118.40 2ajr s GLU 91 Ca 0.00 0.59 -0.22 0.00 -0.41 0.00 0.00 54.97 54.92 2ajr s GLU 91 Cb 0.00 -3.11 -0.06 0.00 -1.78 0.00 0.00 34.13 29.19 2ajr s GLU 91 CO 0.00 0.58 1.35 0.99 -0.49 0.00 0.00 175.26 177.69 2ajr s THR 92 N -1.26 2.18 0.24 3.63 2.01 -0.63 -3.44 115.64 118.36 2ajr s THR 92 Ca 0.32 0.14 -0.30 0.00 0.31 0.00 0.00 61.69 62.16 2ajr s THR 92 Cb -0.17 -3.07 -0.09 0.00 0.01 0.00 0.00 72.50 69.18 2ajr s THR 92 CO 0.18 0.00 0.98 0.00 -0.69 0.00 0.00 174.62 175.09 2ajr s ARG 93 N -2.81 4.80 0.19 4.92 1.70 -1.26 -4.75 118.95 121.75 2ajr s ARG 93 Ca 0.69 1.56 -0.23 0.00 -0.47 0.00 0.00 55.73 57.28 2ajr s ARG 93 Cb -0.40 -3.27 -0.08 0.00 -0.57 0.00 0.00 34.95 30.64 2ajr s ARG 93 CO 0.48 0.44 0.75 -2.00 -1.08 0.00 0.00 175.30 173.88 2ajr s GLU 94 N -1.16 4.41 -0.03 3.89 2.12 -1.26 -0.90 118.70 125.78 2ajr s GLU 94 Ca 0.42 1.02 0.06 0.00 0.36 0.00 0.00 54.97 56.82 2ajr s GLU 94 Cb -0.27 -3.09 -0.01 0.00 0.26 0.00 0.00 34.13 31.02 2ajr s GLU 94 CO 0.34 0.50 -0.19 -0.80 -0.54 0.00 0.00 175.26 174.56 2ajr s ASN 95 N -1.36 2.33 -0.16 -1.70 0.01 0.61 -3.59 114.94 111.08 2ajr s ASN 95 Ca 0.39 -0.37 -0.04 0.00 -0.71 0.00 0.00 52.86 52.12 2ajr s ASN 95 Cb -0.20 -0.41 -0.03 0.00 0.41 0.00 0.00 41.25 41.02 2ajr s ASN 95 CO 0.23 0.22 -0.02 -0.63 -1.51 0.00 0.00 177.10 175.39 2ajr s ILE 96 N -0.29 4.04 -0.22 0.60 1.01 -0.50 -0.21 121.20 125.64 2ajr s ILE 96 Ca 0.03 -0.30 0.01 0.00 0.00 0.00 0.00 60.65 60.39 2ajr s ILE 96 Cb -0.09 -2.78 0.05 0.00 0.01 0.00 0.00 42.46 39.65 2ajr s ILE 96 CO 0.00 0.49 -0.08 -1.61 0.00 0.00 0.00 174.94 173.74 2ajr s GLU 97 N 0.38 1.86 -0.40 2.79 8.01 0.10 -0.73 118.70 130.71 2ajr s GLU 97 Ca -0.03 -0.93 -0.16 0.00 0.01 0.00 0.00 54.97 53.86 2ajr s GLU 97 Cb -0.14 -2.50 0.01 0.00 -4.31 0.00 0.00 34.13 27.19 2ajr s GLU 97 CO 0.02 -0.51 0.39 0.42 0.01 0.00 0.00 175.26 175.59 2ajr s ILE 98 N 1.38 5.15 -0.21 -1.63 1.01 0.89 -1.10 121.20 126.69 2ajr s ILE 98 Ca -0.04 -0.32 -0.05 0.00 0.00 0.00 0.00 60.65 60.24 2ajr s ILE 98 Cb -0.18 -3.96 -0.02 0.00 0.01 0.00 0.00 42.46 38.31 2ajr s ILE 98 CO -0.07 -0.31 0.01 -0.63 0.00 0.00 0.00 174.94 173.93 2ajr s ILE 99 N 2.00 3.96 -0.48 2.92 1.01 0.09 -0.21 121.20 130.50 2ajr s ILE 99 Ca 0.10 -0.30 0.01 0.00 0.00 0.00 0.00 60.65 60.46 2ajr s ILE 99 Cb -0.17 -2.81 0.13 0.00 0.01 0.00 0.00 42.46 39.61 2ajr s ILE 99 CO 0.12 0.41 0.24 -0.62 0.00 0.00 0.00 174.94 175.09 2ajr s ASP 100 N 1.20 4.82 0.51 3.58 -1.08 0.02 -2.11 116.67 123.61 2ajr s ASP 100 Ca 0.03 -2.58 0.33 0.00 -0.52 0.00 0.00 52.55 49.81 2ajr s ASP 100 Cb -0.15 -1.72 1.35 0.00 -1.46 0.00 0.00 42.92 40.95 2ajr s ASP 100 CO 0.01 -0.36 1.96 -0.08 0.52 0.00 0.00 175.17 177.22 2ajr h GLU 101 N 7.19 0.00 0.03 4.34 4.81 -1.83 -0.08 114.58 129.04 2ajr h GLU 101 Ca -0.06 0.00 -0.14 0.00 -0.13 0.00 0.00 59.36 59.02 2ajr h GLU 101 Cb 0.97 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.34 2ajr h GLU 101 CO 0.65 0.00 -0.75 -0.22 -0.73 0.00 0.00 179.01 177.97 2ajr h LYS 102 N 0.00 0.06 -0.01 1.92 3.64 -1.93 -3.36 116.57 116.89 2ajr h LYS 102 Ca 0.00 -0.10 0.00 0.00 -1.27 0.00 0.00 60.65 59.28 2ajr h LYS 102 Cb 0.47 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.32 2ajr h LYS 102 CO 0.00 1.05 -0.08 0.09 -2.27 0.00 0.00 179.45 178.23 2ajr n ASN 103 N -4.40 1.05 -3.28 4.20 4.13 -1.21 -4.97 115.26 110.77 2ajr n ASN 103 Ca -0.21 -1.14 -0.13 0.00 1.68 0.00 0.00 54.58 54.79 2ajr n ASN 103 Cb 0.65 0.02 0.04 0.00 -1.54 0.00 0.00 39.78 38.94 2ajr n ASN 103 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 2ajr n LYS 104 N -0.35 -1.69 -4.06 3.52 4.76 -0.09 -5.05 118.16 115.20 2ajr n LYS 104 Ca 0.17 1.03 -0.13 0.00 -2.87 0.00 0.00 58.31 56.51 2ajr n LYS 104 Cb 0.31 -5.30 -0.11 0.00 -1.84 0.00 0.00 35.03 28.09 2ajr n LYS 104 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 2ajr s THR 105 N -3.23 0.54 -0.12 -0.18 -4.23 -0.91 -4.65 115.64 102.85 2ajr s THR 105 Ca 0.26 -1.10 0.01 0.00 -1.18 0.00 0.00 61.69 59.68 2ajr s THR 105 Cb -0.05 -0.63 0.02 0.00 1.34 0.00 0.00 72.50 73.18 2ajr s THR 105 CO 0.77 -0.39 -0.14 -0.63 -0.54 0.00 0.00 174.62 173.69 2ajr s ILE 106 N -1.43 1.49 -0.25 2.99 1.01 -1.26 -0.80 121.20 122.95 2ajr s ILE 106 Ca -0.10 -0.61 -0.07 0.00 0.00 0.00 0.00 60.65 59.87 2ajr s ILE 106 Cb -0.10 -1.39 -0.02 0.00 0.01 0.00 0.00 42.46 40.97 2ajr s ILE 106 CO 0.00 0.44 0.06 -0.89 0.00 0.00 0.00 174.94 174.55 2ajr s THR 107 N 1.24 4.11 -0.05 2.92 2.01 0.71 -4.95 115.64 121.62 2ajr s THR 107 Ca -0.01 -0.31 0.05 0.00 0.31 0.00 0.00 61.69 61.73 2ajr s THR 107 Cb -0.14 -2.95 -0.01 0.00 0.01 0.00 0.00 72.50 69.41 2ajr s THR 107 CO -0.06 0.31 -0.22 0.00 -0.69 0.00 0.00 174.62 173.96 2ajr s ALA 108 N 1.57 1.91 -0.20 7.40 0.00 -1.26 -0.08 121.76 131.12 2ajr s ALA 108 Ca 0.06 -0.91 0.00 0.00 0.00 0.00 0.00 51.96 51.11 2ajr s ALA 108 Cb -0.15 -0.60 0.04 0.00 0.00 0.00 0.00 23.12 22.41 2ajr s ALA 108 CO 0.02 0.37 -0.08 0.42 0.00 0.00 0.00 175.76 176.49 2ajr s ILE 109 N -0.11 1.49 -0.12 0.00 1.01 0.09 -5.01 121.20 118.56 2ajr s ILE 109 Ca -0.03 -0.94 -0.02 0.00 0.00 0.00 0.00 60.65 59.66 2ajr s ILE 109 Cb -0.13 -1.62 -0.03 0.00 0.01 0.00 0.00 42.46 40.70 2ajr s ILE 109 CO 0.03 0.12 -0.05 0.20 0.00 0.00 0.00 174.94 175.25 2ajr s ASN 110 N 1.46 4.77 0.31 3.58 0.01 -1.26 -1.41 114.94 122.40 2ajr s ASN 110 Ca -0.01 -0.07 0.07 0.00 -0.71 0.00 0.00 52.86 52.13 2ajr s ASN 110 Cb -0.16 -1.56 -0.02 0.00 0.41 0.00 0.00 41.25 39.92 2ajr s ASN 110 CO -0.08 0.25 0.38 -0.36 -1.51 0.00 0.00 177.10 175.78 2ajr s PHE 111 N -0.13 3.11 0.09 2.20 0.40 -1.24 -5.05 117.98 117.36 2ajr s PHE 111 Ca 0.02 -0.20 -0.15 0.00 -0.60 0.00 0.00 56.93 56.00 2ajr s PHE 111 Cb -0.13 -1.81 -0.12 0.00 0.51 0.00 0.00 43.02 41.47 2ajr s PHE 111 CO 0.03 0.17 1.35 -1.00 0.70 0.00 0.00 175.22 176.46 2ajr h PRO 112 N 1.10 0.68 0.00 0.24 0.14 -1.98 -3.47 132.00 128.70 2ajr h PRO 112 Ca -0.47 -0.44 0.00 0.00 0.14 0.00 0.00 66.00 65.23 2ajr h PRO 112 Cb 1.25 0.06 0.00 0.00 0.14 0.00 0.00 31.00 32.44 2ajr h PRO 112 CO 0.56 1.06 0.00 0.41 0.14 0.00 0.00 178.00 180.17 2ajr n GLY 113 N 0.41 2.00 3.81 1.56 0.00 -1.26 -4.63 105.19 107.07 2ajr n GLY 113 Ca -0.06 -1.98 -0.33 0.00 0.00 0.00 0.00 46.02 43.65 2ajr n GLY 113 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2ajr s PRO 114 N -2.44 3.72 -0.29 1.61 0.04 -1.22 -4.74 135.00 131.68 2ajr s PRO 114 Ca 0.00 1.24 -0.29 0.00 0.04 0.00 0.00 61.00 61.99 2ajr s PRO 114 Cb 0.00 -2.09 -0.01 0.00 0.04 0.00 0.00 34.50 32.44 2ajr s PRO 114 CO 0.00 -0.48 1.47 -0.51 0.04 0.00 0.00 177.00 177.52 2ajr s ASP 115 N -2.36 6.46 0.14 6.66 1.11 -1.26 -3.88 116.67 123.54 2ajr s ASP 115 Ca 0.65 1.31 0.01 0.00 0.18 0.00 0.00 52.55 54.70 2ajr s ASP 115 Cb -0.15 -2.54 -0.04 0.00 1.07 0.00 0.00 42.92 41.27 2ajr s ASP 115 CO 0.25 -1.24 0.30 -0.69 1.18 0.00 0.00 175.17 174.97 2ajr s VAL 116 N 5.00 5.30 0.52 -1.27 1.01 -0.76 -4.84 120.40 125.36 2ajr s VAL 116 Ca 0.64 -0.52 0.03 0.00 0.00 0.00 0.00 61.98 62.13 2ajr s VAL 116 Cb -0.20 -3.71 0.00 0.00 0.00 0.00 0.00 36.38 32.47 2ajr s VAL 116 CO 0.27 -0.06 0.14 0.42 0.00 0.00 0.00 175.10 175.88 2ajr s THR 117 N -1.72 1.36 0.00 3.92 -4.23 -1.26 -4.48 115.64 109.22 2ajr s THR 117 Ca 0.36 -1.82 0.00 0.00 -1.18 0.00 0.00 61.69 59.05 2ajr s THR 117 Cb -0.11 -2.17 0.00 0.00 1.34 0.00 0.00 72.50 71.55 2ajr s THR 117 CO 0.28 0.00 0.37 0.47 -0.54 0.00 0.00 174.62 175.21 2ajr n ASP 118 N -1.44 1.10 0.00 3.99 8.00 -1.26 -1.72 116.55 125.22 2ajr n ASP 118 Ca -0.13 -0.76 0.00 0.00 0.71 0.00 0.00 54.79 54.62 2ajr n ASP 118 Cb 0.66 -0.19 0.00 0.00 -0.02 0.00 0.00 41.12 41.57 2ajr n ASP 118 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 2ajr n ASP 120 N 0.92 0.00 -0.11 -2.24 8.00 -1.26 -0.09 116.55 121.77 2ajr n ASP 120 Ca 0.00 0.00 -0.01 0.00 0.71 0.00 0.00 54.79 55.49 2ajr n ASP 120 Cb 0.17 0.00 0.24 0.00 -0.02 0.00 0.00 41.12 41.51 2ajr n ASP 120 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 2ajr h VAL 121 N 0.00 1.20 -0.05 2.53 2.07 -1.74 -0.46 116.25 119.80 2ajr h VAL 121 Ca 0.00 -0.68 0.01 0.00 0.82 0.00 0.00 66.70 66.85 2ajr h VAL 121 Cb 0.00 0.61 -0.01 0.00 -1.52 0.00 0.00 31.29 30.38 2ajr h VAL 121 CO 0.00 0.26 0.01 0.78 0.02 0.00 0.00 177.57 178.64 2ajr h ASN 122 N 0.76 0.00 -0.72 0.57 4.21 -0.77 -1.45 115.58 118.19 2ajr h ASN 122 Ca 0.18 0.01 -0.00 0.00 1.21 0.00 0.00 56.30 57.69 2ajr h ASN 122 Cb 0.20 0.01 -0.03 0.00 -1.12 0.00 0.00 38.32 37.38 2ajr h ASN 122 CO -0.01 0.01 0.44 0.45 -1.29 0.00 0.00 177.43 177.03 2ajr h HIS 123 N 0.03 0.94 -0.65 1.19 3.86 -1.69 -1.46 115.15 117.37 2ajr h HIS 123 Ca 0.02 -0.00 0.05 0.00 -1.16 0.00 0.00 60.37 59.28 2ajr h HIS 123 Cb 0.02 -0.31 -0.05 0.00 1.06 0.00 0.00 27.41 28.13 2ajr h HIS 123 CO -0.09 0.63 0.37 0.35 0.86 0.00 0.00 177.93 180.05 2ajr h PHE 124 N 0.98 0.68 -0.56 2.45 3.57 -0.89 -1.92 116.94 121.25 2ajr h PHE 124 Ca 0.26 0.02 -0.10 0.00 3.53 0.00 0.00 57.97 61.68 2ajr h PHE 124 Cb -0.04 -0.21 -0.02 0.00 2.79 0.00 0.00 35.95 38.47 2ajr h PHE 124 CO -0.01 0.35 -0.04 -0.07 -2.23 0.00 0.00 178.31 176.31 2ajr h LEU 125 N 0.70 1.00 0.02 0.59 3.38 -0.52 0.26 115.31 120.73 2ajr h LEU 125 Ca 0.28 -0.32 0.03 0.00 0.09 0.00 0.00 57.88 57.95 2ajr h LEU 125 Cb 0.13 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.58 2ajr h LEU 125 CO -0.16 1.08 -0.21 0.03 0.09 0.00 0.00 178.44 179.27 2ajr h ARG 126 N 0.89 -0.33 -0.13 1.13 3.08 -1.04 -2.26 114.38 115.71 2ajr h ARG 126 Ca 0.15 0.02 -0.16 0.00 0.07 0.00 0.00 59.98 60.07 2ajr h ARG 126 Cb 0.59 0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.71 2ajr h ARG 126 CO 0.04 -0.22 -0.59 0.00 -1.07 0.00 0.00 179.97 178.12 2ajr h ARG 127 N -0.34 0.43 -0.25 0.04 3.08 -1.05 -2.98 114.38 113.31 2ajr h ARG 127 Ca 0.05 -0.29 0.04 0.00 0.07 0.00 0.00 59.98 59.85 2ajr h ARG 127 Cb 0.41 0.04 -0.04 0.00 0.08 0.00 0.00 29.97 30.47 2ajr h ARG 127 CO -0.18 0.90 0.03 -0.92 -1.07 0.00 0.00 179.97 178.72 2ajr h TYR 128 N 0.32 0.04 0.00 3.04 3.20 -0.43 -1.24 116.97 121.90 2ajr h TYR 128 Ca -0.00 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.88 2ajr h TYR 128 Cb 1.13 0.02 0.00 0.00 1.54 0.00 0.00 36.73 39.42 2ajr h TYR 128 CO 0.04 -0.01 0.00 1.63 -1.64 0.00 0.00 178.16 178.18 2ajr n LYS 129 N -5.12 0.00 0.00 1.82 5.02 -0.86 -1.34 118.16 117.69 2ajr n LYS 129 Ca -0.01 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.28 2ajr n LYS 129 Cb 0.12 -1.27 0.00 0.00 -0.02 0.00 0.00 35.03 33.86 2ajr n LYS 129 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 2ajr n THR 131 N 0.79 0.00 -0.33 -0.18 -1.04 -0.47 -3.90 114.28 109.15 2ajr n THR 131 Ca 0.00 0.00 0.30 0.00 -2.04 0.00 0.00 64.05 62.31 2ajr n THR 131 Cb 0.00 0.00 0.63 0.00 -1.82 0.00 0.00 70.33 69.14 2ajr n THR 131 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 2ajr h LEU 132 N 0.00 0.22 -1.40 -4.42 3.38 -1.46 0.57 115.31 112.20 2ajr h LEU 132 Ca 0.00 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.02 2ajr h LEU 132 Cb 0.00 0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.76 2ajr h LEU 132 CO 0.00 0.03 0.00 0.77 0.09 0.00 0.00 178.44 179.33 2ajr h SER 133 N 0.19 0.00 -0.01 -0.43 4.64 -1.86 -3.21 113.55 112.87 2ajr h SER 133 Ca 0.59 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.91 2ajr h SER 133 Cb 1.93 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.02 2ajr h SER 133 CO -0.17 0.00 -0.57 0.29 -0.87 0.00 0.00 176.83 175.52 2ajr n LYS 134 N -2.84 1.19 -4.43 4.77 4.01 0.20 -5.01 118.16 116.05 2ajr n LYS 134 Ca 0.01 -0.65 -0.23 0.00 -0.51 0.00 0.00 58.31 56.93 2ajr n LYS 134 Cb 0.26 -1.40 -0.10 0.00 -0.51 0.00 0.00 35.03 33.28 2ajr n LYS 134 CO 0.00 0.00 0.00 0.14 -1.11 0.00 0.00 177.40 176.43 2ajr s VAL 135 N -2.42 2.28 -0.17 -0.18 -7.23 -1.17 -4.91 120.40 106.60 2ajr s VAL 135 Ca 0.14 -2.33 0.14 0.00 -1.81 0.00 0.00 61.98 58.12 2ajr s VAL 135 Cb 0.16 -2.22 -0.24 0.00 0.56 0.00 0.00 36.38 34.64 2ajr s VAL 135 CO 0.59 -0.42 0.18 0.47 -0.31 0.00 0.00 175.10 175.61 2ajr n ASP 136 N -0.48 0.52 -4.02 4.85 8.00 -1.26 -4.97 116.55 119.19 2ajr n ASP 136 Ca -0.06 0.09 -0.10 0.00 0.71 0.00 0.00 54.79 55.42 2ajr n ASP 136 Cb 0.60 0.52 -0.07 0.00 -0.02 0.00 0.00 41.12 42.15 2ajr n ASP 136 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2ajr s VAL 138 N -4.03 0.86 -0.26 0.00 0.11 -0.65 -1.58 120.40 114.86 2ajr s VAL 138 Ca 0.24 -0.46 -0.01 0.00 -2.93 0.00 0.00 61.98 58.81 2ajr s VAL 138 Cb 0.02 -0.72 0.03 0.00 -1.53 0.00 0.00 36.38 34.18 2ajr s VAL 138 CO 0.07 0.24 -0.05 -0.69 -3.33 0.00 0.00 175.10 171.34 2ajr s VAL 139 N -0.24 2.81 -0.28 2.04 1.01 0.80 -1.02 120.40 125.52 2ajr s VAL 139 Ca 0.04 -1.17 -0.06 0.00 0.00 0.00 0.00 61.98 60.79 2ajr s VAL 139 Cb -0.04 -2.49 0.01 0.00 0.00 0.00 0.00 36.38 33.86 2ajr s VAL 139 CO -0.00 0.11 0.05 -0.63 0.00 0.00 0.00 175.10 174.63 2ajr s ILE 140 N 1.29 3.80 0.00 2.22 1.01 -0.47 -0.26 121.20 128.79 2ajr s ILE 140 Ca -0.02 -0.70 -0.21 0.00 0.00 0.00 0.00 60.65 59.72 2ajr s ILE 140 Cb -0.18 -2.94 0.04 0.00 0.01 0.00 0.00 42.46 39.40 2ajr s ILE 140 CO -0.04 0.13 0.46 -0.94 0.00 0.00 0.00 174.94 174.55 2ajr s SER 141 N 1.48 -0.37 0.00 3.58 1.04 -1.20 -2.80 113.70 115.43 2ajr s SER 141 Ca 0.03 0.24 0.00 0.00 0.48 0.00 0.00 55.95 56.70 2ajr s SER 141 Cb -0.17 0.43 0.00 0.00 0.10 0.00 0.00 66.02 66.38 2ajr s SER 141 CO 0.01 -0.59 0.00 0.61 0.98 0.00 0.00 173.24 174.25 2ajr n GLY 142 N 0.84 -1.57 3.90 7.32 0.00 -0.73 -4.17 105.19 110.77 2ajr n GLY 142 Ca -0.20 -2.14 -0.29 0.00 0.00 0.00 0.00 46.02 43.39 2ajr n GLY 142 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2ajr s SER 143 N -3.09 4.04 -0.08 1.61 1.04 -1.26 -4.84 113.70 111.11 2ajr s SER 143 Ca 0.00 0.66 0.03 0.00 0.48 0.00 0.00 55.95 57.13 2ajr s SER 143 Cb 0.00 -1.05 0.00 0.00 0.10 0.00 0.00 66.02 65.08 2ajr s SER 143 CO 0.00 -2.19 -0.19 -0.63 0.98 0.00 0.00 173.24 171.21 2ajr s ILE 144 N -3.63 1.66 0.73 -1.02 1.01 -1.26 -3.46 121.20 115.23 2ajr s ILE 144 Ca 0.65 -0.79 -0.11 0.00 0.00 0.00 0.00 60.65 60.40 2ajr s ILE 144 Cb -0.09 -1.45 0.03 0.00 0.01 0.00 0.00 42.46 40.95 2ajr s ILE 144 CO 0.50 0.47 1.07 -2.16 0.00 0.00 0.00 174.94 174.83 2ajr s PRO 145 N 0.41 2.66 0.34 2.79 0.04 -1.26 -4.94 135.00 135.05 2ajr s PRO 145 Ca -0.15 0.92 -0.28 0.00 0.04 0.00 0.00 61.00 61.52 2ajr s PRO 145 Cb -0.16 -1.96 -0.12 0.00 0.04 0.00 0.00 34.50 32.29 2ajr s PRO 145 CO 0.06 -1.28 1.31 -2.30 0.04 0.00 0.00 177.00 174.82 2ajr n PRO 146 N -3.25 2.16 0.00 0.56 -0.02 -1.25 -2.90 135.00 130.29 2ajr n PRO 146 Ca 0.08 0.76 0.00 0.00 -2.02 0.00 0.00 63.50 62.31 2ajr n PRO 146 Cb 0.54 -2.35 0.00 0.00 -0.02 0.00 0.00 33.50 31.67 2ajr n PRO 146 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2ajr n GLY 147 N 0.80 3.14 3.74 -1.23 0.00 -1.26 -1.83 105.19 108.55 2ajr n GLY 147 Ca 0.05 -0.90 -0.41 0.00 0.00 0.00 0.00 46.02 44.75 2ajr n GLY 147 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2ajr s VAL 148 N -0.17 3.31 0.24 1.61 1.01 -1.14 -4.92 120.40 120.33 2ajr s VAL 148 Ca 0.00 1.11 -0.31 0.00 0.00 0.00 0.00 61.98 62.78 2ajr s VAL 148 Cb 0.00 -3.71 -0.11 0.00 0.00 0.00 0.00 36.38 32.56 2ajr s VAL 148 CO 0.00 0.19 1.63 0.21 0.00 0.00 0.00 175.10 177.13 2ajr s ASN 149 N 0.12 6.42 0.64 3.32 2.47 -1.26 -4.90 114.94 121.75 2ajr s ASN 149 Ca 0.54 2.86 0.42 0.00 0.42 0.00 0.00 52.86 57.10 2ajr s ASN 149 Cb -0.35 -2.62 2.16 0.00 -1.45 0.00 0.00 41.25 38.99 2ajr s ASN 149 CO 0.39 -0.91 2.28 -0.33 -3.72 0.00 0.00 177.10 174.80 2ajr h GLU 150 N 5.84 0.00 0.00 0.43 5.08 -1.97 -2.01 114.58 121.94 2ajr h GLU 150 Ca -0.45 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.91 2ajr h GLU 150 Cb 1.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.46 2ajr h GLU 150 CO 0.87 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 179.29 2ajr n GLY 151 N -0.79 -0.87 0.34 -3.84 0.00 -1.26 -4.08 105.19 94.68 2ajr n GLY 151 Ca -0.02 -0.08 -0.05 0.00 0.00 0.00 0.00 46.02 45.87 2ajr n GLY 151 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2ajr h ILE 152 N 0.00 1.25 -0.02 -0.61 2.10 -1.75 -2.38 117.51 116.12 2ajr h ILE 152 Ca 0.00 -0.78 -0.06 0.00 1.08 0.00 0.00 64.86 65.11 2ajr h ILE 152 Cb 0.17 0.29 -0.01 0.00 -1.09 0.00 0.00 36.82 36.18 2ajr h ILE 152 CO 0.00 0.32 -0.25 0.00 -1.08 0.00 0.00 178.15 177.14 2ajr h ASN 154 N 0.03 0.41 -0.69 0.00 -0.73 -1.70 0.18 115.58 113.07 2ajr h ASN 154 Ca 0.00 0.01 -0.06 0.00 1.87 0.00 0.00 56.30 58.12 2ajr h ASN 154 Cb 0.46 -0.08 -0.03 0.00 0.27 0.00 0.00 38.32 38.95 2ajr h ASN 154 CO 0.03 0.29 0.21 -0.33 -0.37 0.00 0.00 177.43 177.27 2ajr h GLU 155 N 0.52 1.08 -0.57 6.67 4.39 -0.95 0.58 114.58 126.31 2ajr h GLU 155 Ca 0.19 -0.24 -0.01 0.00 0.34 0.00 0.00 59.36 59.64 2ajr h GLU 155 Cb 0.04 -0.15 -0.03 0.00 -0.10 0.00 0.00 28.75 28.51 2ajr h GLU 155 CO -0.10 0.94 0.31 -0.07 -1.16 0.00 0.00 179.01 178.93 2ajr h LEU 156 N 1.02 0.70 -0.39 1.33 3.38 -0.70 0.11 115.31 120.76 2ajr h LEU 156 Ca 0.22 -0.09 -0.04 0.00 0.09 0.00 0.00 57.88 58.07 2ajr h LEU 156 Cb 0.31 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 2ajr h LEU 156 CO -0.01 0.59 0.10 0.58 0.09 0.00 0.00 178.44 179.79 2ajr h VAL 157 N 0.76 1.23 0.23 1.22 2.07 -0.46 -1.88 116.25 119.42 2ajr h VAL 157 Ca 0.20 -0.77 -0.01 0.00 0.82 0.00 0.00 66.70 66.93 2ajr h VAL 157 Cb 0.04 0.98 0.00 0.00 -1.52 0.00 0.00 31.29 30.79 2ajr h VAL 157 CO -0.03 0.27 -0.11 -0.09 0.02 0.00 0.00 177.57 177.63 2ajr h ARG 158 N 0.49 -0.29 -0.33 1.57 2.43 -0.57 0.35 114.38 118.03 2ajr h ARG 158 Ca 0.12 0.02 0.04 0.00 -0.81 0.00 0.00 59.98 59.35 2ajr h ARG 158 Cb 0.30 0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 29.89 2ajr h ARG 158 CO 0.00 -0.13 0.12 -0.07 -1.51 0.00 0.00 179.97 178.38 2ajr h LEU 159 N -0.38 0.14 0.03 3.80 3.38 -0.81 -1.57 115.31 119.89 2ajr h LEU 159 Ca -0.03 0.03 0.02 0.00 0.09 0.00 0.00 57.88 58.00 2ajr h LEU 159 Cb 0.29 0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.03 2ajr h LEU 159 CO 0.05 0.11 -0.19 0.00 0.09 0.00 0.00 178.44 178.51 2ajr h ALA 160 N 1.21 -0.26 -0.32 1.53 0.00 -1.08 -2.88 119.26 117.46 2ajr h ALA 160 Ca 0.15 -0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.90 2ajr h ALA 160 Cb 0.12 0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 2ajr h ALA 160 CO -0.15 -0.69 -0.43 0.00 0.00 0.00 0.00 179.25 177.99 2ajr h ARG 161 N -0.32 0.80 -0.02 0.00 2.47 -0.73 -1.18 114.38 115.39 2ajr h ARG 161 Ca 0.05 -0.44 0.01 0.00 -1.26 0.00 0.00 59.98 58.34 2ajr h ARG 161 Cb 0.37 0.02 -0.00 0.00 -1.65 0.00 0.00 29.97 28.72 2ajr h ARG 161 CO -0.15 1.07 0.05 0.93 0.56 0.00 0.00 179.97 182.42 2ajr h GLU 162 N 0.65 0.00 -0.57 0.04 5.08 -1.29 -1.22 114.58 117.28 2ajr h GLU 162 Ca 0.05 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 2ajr h GLU 162 Cb 0.99 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.24 2ajr h GLU 162 CO 0.10 0.00 0.00 -2.13 -1.00 0.00 0.00 179.01 175.98 2ajr n ARG 163 N -3.48 2.52 -1.33 2.33 3.00 -0.83 -4.94 116.66 113.91 2ajr n ARG 163 Ca -0.02 -2.33 -0.10 0.00 -0.00 0.00 0.00 57.85 55.39 2ajr n ARG 163 Cb 0.13 -1.52 -0.04 0.00 0.00 0.00 0.00 32.46 31.02 2ajr n ARG 163 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2ajr n GLY 164 N 1.54 1.14 3.69 5.14 0.00 -0.46 -5.02 105.19 111.22 2ajr n GLY 164 Ca 0.21 -0.55 -0.37 0.00 0.00 0.00 0.00 46.02 45.31 2ajr n GLY 164 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2ajr s VAL 165 N -2.39 5.24 0.09 1.61 1.01 -0.51 -5.01 120.40 120.43 2ajr s VAL 165 Ca 0.00 0.64 -0.31 0.00 0.00 0.00 0.00 61.98 62.31 2ajr s VAL 165 Cb 0.00 -3.69 -0.08 0.00 0.00 0.00 0.00 36.38 32.61 2ajr s VAL 165 CO 0.00 0.30 1.54 0.12 0.00 0.00 0.00 175.10 177.07 2ajr s PHE 166 N 1.01 2.79 -0.13 5.22 5.36 -1.21 -4.07 117.98 126.96 2ajr s PHE 166 Ca 0.18 0.59 -0.00 0.00 -0.96 0.00 0.00 56.93 56.74 2ajr s PHE 166 Cb -0.14 -3.86 -0.02 0.00 -0.34 0.00 0.00 43.02 38.67 2ajr s PHE 166 CO 0.07 -3.26 -0.13 0.08 -1.46 0.00 0.00 175.22 170.52 2ajr s VAL 167 N 1.97 3.10 -0.13 3.12 1.01 -1.26 -1.63 120.40 126.58 2ajr s VAL 167 Ca 0.70 -0.65 -0.03 0.00 0.00 0.00 0.00 61.98 62.00 2ajr s VAL 167 Cb -0.39 -2.30 -0.03 0.00 0.00 0.00 0.00 36.38 33.66 2ajr s VAL 167 CO 0.31 0.53 -0.01 -0.36 0.00 0.00 0.00 175.10 175.56 2ajr s PHE 168 N 0.31 3.10 -0.06 5.22 0.40 -0.19 -1.26 117.98 125.51 2ajr s PHE 168 Ca -0.10 -0.03 0.00 0.00 -0.60 0.00 0.00 56.93 56.20 2ajr s PHE 168 Cb -0.16 -1.89 0.02 0.00 0.51 0.00 0.00 43.02 41.51 2ajr s PHE 168 CO 0.05 0.21 -0.04 0.08 0.70 0.00 0.00 175.22 176.23 2ajr s VAL 169 N -0.20 0.53 -0.28 -0.44 1.01 -0.27 -1.37 120.40 119.38 2ajr s VAL 169 Ca 0.05 -0.07 0.02 0.00 0.00 0.00 0.00 61.98 61.98 2ajr s VAL 169 Cb -0.13 -0.59 0.07 0.00 0.00 0.00 0.00 36.38 35.74 2ajr s VAL 169 CO 0.02 0.25 -0.04 -0.70 0.00 0.00 0.00 175.10 174.63 2ajr s GLU 170 N 1.25 1.78 0.22 2.72 2.12 -1.12 -0.53 118.70 125.14 2ajr s GLU 170 Ca -0.06 -1.37 -0.07 0.00 0.36 0.00 0.00 54.97 53.83 2ajr s GLU 170 Cb -0.14 -2.84 -0.02 0.00 0.26 0.00 0.00 34.13 31.40 2ajr s GLU 170 CO -0.02 -0.70 0.30 -0.65 -0.54 0.00 0.00 175.26 173.65 2ajr s GLN 171 N 1.16 1.36 0.79 4.30 -0.21 -1.25 -1.77 119.66 124.04 2ajr s GLN 171 Ca -0.02 -1.43 -0.11 0.00 0.02 0.00 0.00 55.36 53.82 2ajr s GLN 171 Cb -0.19 0.37 0.06 0.00 1.00 0.00 0.00 33.01 34.25 2ajr s GLN 171 CO -0.07 -0.51 1.08 0.95 -2.12 0.00 0.00 175.29 174.62 2ajr s THR 172 N -4.08 3.30 0.15 -0.19 -4.23 -1.26 -0.81 115.64 108.51 2ajr s THR 172 Ca 0.30 0.42 -0.19 0.00 -1.18 0.00 0.00 61.69 61.04 2ajr s THR 172 Cb 0.03 -3.04 0.03 0.00 1.34 0.00 0.00 72.50 70.86 2ajr s THR 172 CO 0.10 -0.55 1.69 -0.65 -0.54 0.00 0.00 174.62 174.66 2ajr h PRO 173 N -1.10 -0.01 -0.52 3.99 0.11 -1.95 0.24 132.00 132.75 2ajr h PRO 173 Ca -0.46 0.00 0.10 0.00 0.11 0.00 0.00 66.00 65.76 2ajr h PRO 173 Cb 1.25 0.00 -0.09 0.00 0.11 0.00 0.00 31.00 32.27 2ajr h PRO 173 CO 0.55 -0.01 -0.08 0.00 -0.21 0.00 0.00 178.00 178.26 2ajr h ARG 174 N -0.01 0.04 -0.40 1.05 -0.00 -1.94 0.22 114.38 113.34 2ajr h ARG 174 Ca 0.14 -0.00 -0.13 0.00 -0.50 0.00 0.00 59.98 59.48 2ajr h ARG 174 Cb 0.22 -0.01 -0.01 0.00 0.00 0.00 0.00 29.97 30.17 2ajr h ARG 174 CO -0.30 0.03 -0.28 -0.07 0.00 0.00 0.00 179.97 179.35 2ajr h LEU 175 N 0.04 0.88 -0.60 3.04 3.38 -1.88 -3.24 115.31 116.95 2ajr h LEU 175 Ca 0.26 -0.35 -0.07 0.00 0.09 0.00 0.00 57.88 57.81 2ajr h LEU 175 Cb 0.40 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 2ajr h LEU 175 CO -0.50 1.10 0.10 -0.07 0.09 0.00 0.00 178.44 179.17 2ajr h LEU 176 N 0.73 0.95 -0.99 1.67 3.38 0.20 -2.22 115.31 119.02 2ajr h LEU 176 Ca 0.09 -0.26 0.31 0.00 0.09 0.00 0.00 57.88 58.11 2ajr h LEU 176 Cb 0.83 -0.25 -0.15 0.00 0.09 0.00 0.00 40.66 41.18 2ajr h LEU 176 CO 0.07 0.96 0.55 -0.08 0.09 0.00 0.00 178.44 180.03 2ajr h GLU 177 N 0.89 0.34 -0.04 1.13 4.57 -0.65 0.69 114.58 121.52 2ajr h GLU 177 Ca 0.18 -0.02 -0.19 0.00 -1.18 0.00 0.00 59.36 58.15 2ajr h GLU 177 Cb 0.41 -0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 28.92 2ajr h GLU 177 CO 0.01 0.22 -0.81 -0.09 -1.18 0.00 0.00 179.01 177.16 2ajr h ARG 178 N 0.35 0.34 -0.35 1.92 9.65 -1.45 -3.14 114.38 121.70 2ajr h ARG 178 Ca 0.71 -0.32 -0.12 0.00 -1.10 0.00 0.00 59.98 59.15 2ajr h ARG 178 Cb 1.58 0.08 -0.01 0.00 -1.39 0.00 0.00 29.97 30.23 2ajr h ARG 178 CO -0.60 0.98 -0.26 0.82 2.80 0.00 0.00 179.97 183.72 2ajr h ILE 179 N 0.22 1.29 0.00 1.20 2.04 -0.59 -3.18 117.51 118.48 2ajr h ILE 179 Ca -0.04 -1.42 0.00 0.00 1.00 0.00 0.00 64.86 64.40 2ajr h ILE 179 Cb 1.41 1.42 0.00 0.00 -0.74 0.00 0.00 36.82 38.91 2ajr h ILE 179 CO 0.13 0.47 0.00 -1.22 0.00 0.00 0.00 178.15 177.53 2ajr n TYR 180 N -4.22 0.00 0.06 1.37 4.01 -0.17 -2.50 117.16 115.70 2ajr n TYR 180 Ca -0.03 0.00 -0.10 0.00 -0.16 0.00 0.00 57.90 57.62 2ajr n TYR 180 Cb 0.46 0.00 -0.07 0.00 -0.31 0.00 0.00 39.34 39.43 2ajr n TYR 180 CO 0.00 0.00 0.00 0.93 -0.46 0.00 0.00 176.86 177.33 2ajr h GLU 181 N 0.00 -0.23 -7.21 -0.72 5.08 -1.52 -3.48 114.58 106.50 2ajr h GLU 181 Ca 0.00 0.02 -0.46 0.00 -1.00 0.00 0.00 59.36 57.91 2ajr h GLU 181 Cb 0.00 0.05 0.20 0.00 0.50 0.00 0.00 28.75 29.50 2ajr h GLU 181 CO 0.00 0.16 0.10 0.20 -1.00 0.00 0.00 179.01 178.47 2ajr s GLY 182 N -3.30 1.58 0.41 -3.84 0.00 -1.04 -4.89 107.32 96.25 2ajr s GLY 182 Ca -0.11 0.01 0.22 0.00 0.00 0.00 0.00 44.72 44.83 2ajr s GLY 182 CO 0.41 0.63 1.79 -0.56 0.00 0.00 0.00 173.10 175.37 2ajr h PRO 183 N -2.29 0.00 -6.19 2.90 0.13 -1.93 -3.43 132.00 121.19 2ajr h PRO 183 Ca -0.56 0.00 -0.52 0.00 -0.87 0.00 0.00 66.00 64.05 2ajr h PRO 183 Cb 1.31 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.38 2ajr h PRO 183 CO 0.50 0.29 -0.54 -1.21 -0.23 0.00 0.00 178.00 176.80 2ajr s GLU 184 N -3.65 2.70 0.02 0.86 0.41 -1.26 -5.13 118.70 112.65 2ajr s GLU 184 Ca 0.00 -1.22 -0.03 0.00 -0.41 0.00 0.00 54.97 53.32 2ajr s GLU 184 Cb 0.11 -2.42 -0.01 0.00 -1.78 0.00 0.00 34.13 30.02 2ajr s GLU 184 CO 0.66 0.32 0.03 -0.06 -0.49 0.00 0.00 175.26 175.73 2ajr s PHE 185 N -2.23 0.22 0.52 1.61 0.08 -1.26 -4.79 117.98 112.12 2ajr s PHE 185 Ca 0.34 -0.47 -0.22 0.00 0.12 0.00 0.00 56.93 56.70 2ajr s PHE 185 Cb -0.07 -0.16 -0.07 0.00 -0.57 0.00 0.00 43.02 42.15 2ajr s PHE 185 CO 0.24 -0.26 1.19 -2.30 -0.10 0.00 0.00 175.22 173.99 2ajr n PRO 186 N 1.30 1.49 -0.03 0.24 -0.02 -1.26 -4.92 135.00 131.80 2ajr n PRO 186 Ca -0.22 0.55 -0.13 0.00 -2.02 0.00 0.00 63.50 61.68 2ajr n PRO 186 Cb 0.56 -2.36 -0.09 0.00 -0.02 0.00 0.00 33.50 31.60 2ajr n PRO 186 CO 0.00 0.00 0.00 -0.91 1.98 0.00 0.00 175.50 176.57 2ajr h ASN 187 N 1.34 0.13 -3.31 2.55 4.21 -1.54 -3.36 115.58 115.60 2ajr h ASN 187 Ca -0.49 -0.48 -0.68 0.00 1.21 0.00 0.00 56.30 55.87 2ajr h ASN 187 Cb 1.32 -0.04 -0.32 0.00 -1.12 0.00 0.00 38.32 38.16 2ajr h ASN 187 CO 0.56 0.58 -0.86 -0.69 -1.29 0.00 0.00 177.43 175.73 2ajr s VAL 188 N -4.30 2.18 -0.06 2.81 1.01 -0.46 -0.92 120.40 120.67 2ajr s VAL 188 Ca -0.15 -0.97 0.04 0.00 0.00 0.00 0.00 61.98 60.90 2ajr s VAL 188 Cb 0.03 -1.85 0.00 0.00 0.00 0.00 0.00 36.38 34.56 2ajr s VAL 188 CO 0.70 0.55 -0.17 0.54 0.00 0.00 0.00 175.10 176.72 2ajr s VAL 189 N 0.45 1.49 -0.41 2.92 0.11 -0.23 -1.11 120.40 123.62 2ajr s VAL 189 Ca -0.15 -0.72 0.02 0.00 -2.93 0.00 0.00 61.98 58.20 2ajr s VAL 189 Cb -0.17 -1.31 0.13 0.00 -1.53 0.00 0.00 36.38 33.50 2ajr s VAL 189 CO 0.06 0.43 0.21 -0.75 -3.33 0.00 0.00 175.10 171.73 2ajr s LYS 190 N 0.31 1.16 0.28 1.54 2.20 0.31 -1.30 119.74 124.24 2ajr s LYS 190 Ca -0.11 -1.83 -0.30 0.00 -0.36 0.00 0.00 55.97 53.37 2ajr s LYS 190 Cb -0.14 -2.23 -0.12 0.00 -1.51 0.00 0.00 37.83 33.83 2ajr s LYS 190 CO 0.04 -1.14 1.58 -2.30 -0.36 0.00 0.00 175.35 173.18 2ajr n PRO 191 N 3.77 2.64 -2.70 4.03 -0.02 -1.25 -3.74 135.00 137.73 2ajr n PRO 191 Ca 0.07 0.94 -0.42 0.00 -2.02 0.00 0.00 63.50 62.07 2ajr n PRO 191 Cb 0.36 -2.71 -0.03 0.00 -0.02 0.00 0.00 33.50 31.09 2ajr n PRO 191 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 2ajr s ASP 192 N 0.51 6.22 -0.08 2.55 2.15 0.01 -4.72 116.67 123.32 2ajr s ASP 192 Ca 0.65 -0.56 0.20 0.00 0.43 0.00 0.00 52.55 53.27 2ajr s ASP 192 Cb -0.51 -2.49 0.71 0.00 -0.30 0.00 0.00 42.92 40.33 2ajr s ASP 192 CO 0.48 -1.57 1.61 0.18 -0.17 0.00 0.00 175.17 175.70 2ajr n LEU 193 N 8.40 4.57 -4.68 -1.34 4.77 -1.26 -4.26 117.00 123.20 2ajr n LEU 193 Ca 0.01 -2.30 -0.46 0.00 -0.03 0.00 0.00 56.01 53.23 2ajr n LEU 193 Cb 0.48 -0.56 -0.04 0.00 -2.33 0.00 0.00 43.42 40.96 2ajr n LEU 193 CO 0.68 0.87 1.46 0.54 -1.33 0.00 0.00 177.39 179.60 2ajr n ARG 194 N 1.32 2.38 -2.07 3.23 5.12 -1.26 -1.68 116.66 123.70 2ajr n ARG 194 Ca 0.26 0.87 -0.18 0.00 -1.93 0.00 0.00 57.85 56.87 2ajr n ARG 194 Cb 0.82 -2.73 -0.03 0.00 -1.16 0.00 0.00 32.46 29.36 2ajr n ARG 194 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2ajr n GLY 195 N 4.23 0.35 3.71 -0.13 0.00 -1.26 -4.95 105.19 107.15 2ajr n GLY 195 Ca 0.21 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 2ajr n GLY 195 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2ajr s ASN 196 N -2.23 7.19 0.00 1.61 2.47 -0.67 -4.87 114.94 118.44 2ajr s ASN 196 Ca 0.00 1.85 0.00 0.00 0.42 0.00 0.00 52.86 55.13 2ajr s ASN 196 Cb 0.00 -2.57 0.00 0.00 -1.45 0.00 0.00 41.25 37.23 2ajr s ASN 196 CO 0.00 -0.40 0.39 1.41 -3.72 0.00 0.00 177.10 174.78 2ajr n HIS 197 N 4.05 0.00 -3.09 0.43 8.25 -1.26 -5.08 115.22 118.53 2ajr n HIS 197 Ca 0.08 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.19 2ajr n HIS 197 Cb 0.48 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.53 2ajr n HIS 197 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2ajr s ALA 198 N -0.13 3.35 1.17 -1.41 0.00 -1.26 -5.03 121.76 118.46 2ajr s ALA 198 Ca 0.00 0.15 -0.13 0.00 0.00 0.00 0.00 51.96 51.97 2ajr s ALA 198 Cb 0.00 -2.83 0.29 0.00 0.00 0.00 0.00 23.12 20.58 2ajr s ALA 198 CO 0.00 0.31 1.03 -1.12 0.00 0.00 0.00 175.76 175.98 2ajr s SER 199 N -1.92 0.92 -0.28 0.00 0.01 -1.26 -4.82 113.70 106.35 2ajr s SER 199 Ca 0.49 1.43 -0.08 0.00 1.31 0.00 0.00 55.95 59.10 2ajr s SER 199 Cb -0.14 -2.22 0.13 0.00 0.21 0.00 0.00 66.02 64.00 2ajr s SER 199 CO 0.19 -4.22 0.60 0.12 0.41 0.00 0.00 173.24 170.34 2ajr s PHE 200 N -2.50 -1.30 -1.42 2.43 5.36 -0.11 -4.91 117.98 115.53 2ajr s PHE 200 Ca 0.68 2.08 -0.08 0.00 -0.96 0.00 0.00 56.93 58.65 2ajr s PHE 200 Cb -0.24 0.68 0.04 0.00 -0.34 0.00 0.00 43.02 43.15 2ajr s PHE 200 CO 0.64 -0.68 0.93 1.28 -1.46 0.00 0.00 175.22 175.93 2ajr n LEU 201 N 5.44 -2.94 -1.69 6.12 4.77 -1.26 -2.12 117.00 125.31 2ajr n LEU 201 Ca -0.09 -0.75 -0.16 0.00 -0.03 0.00 0.00 56.01 54.98 2ajr n LEU 201 Cb 0.49 -2.70 -0.02 0.00 -2.33 0.00 0.00 43.42 38.86 2ajr n LEU 201 CO -0.02 0.47 -0.19 0.61 -1.33 0.00 0.00 177.39 176.93 2ajr n GLY 202 N -1.67 0.23 3.06 -0.72 0.00 -1.26 -5.00 105.19 99.83 2ajr n GLY 202 Ca -0.09 -0.22 -0.30 0.00 0.00 0.00 0.00 46.02 45.41 2ajr n GLY 202 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2ajr s VAL 203 N -2.75 1.66 -0.23 1.61 1.01 -0.90 -5.12 120.40 115.67 2ajr s VAL 203 Ca 0.00 -0.71 -0.13 0.00 0.00 0.00 0.00 61.98 61.14 2ajr s VAL 203 Cb 0.00 -1.52 -0.05 0.00 0.00 0.00 0.00 36.38 34.81 2ajr s VAL 203 CO 0.00 0.47 0.25 -0.62 0.00 0.00 0.00 175.10 175.21 2ajr s ASP 204 N 1.19 6.22 -1.16 3.32 -1.08 -1.26 -0.94 116.67 122.97 2ajr s ASP 204 Ca -0.01 0.25 -0.10 0.00 -0.52 0.00 0.00 52.55 52.17 2ajr s ASP 204 Cb -0.14 -2.15 0.24 0.00 -1.46 0.00 0.00 42.92 39.40 2ajr s ASP 204 CO -0.06 -0.00 1.32 0.18 0.52 0.00 0.00 175.17 177.12 2ajr n LEU 205 N 4.46 5.57 -0.09 -1.34 4.77 -1.26 -4.74 117.00 124.36 2ajr n LEU 205 Ca -0.12 -4.82 -0.16 0.00 -0.03 0.00 0.00 56.01 50.87 2ajr n LEU 205 Cb 0.52 -1.51 -0.05 0.00 -2.33 0.00 0.00 43.42 40.04 2ajr n LEU 205 CO 0.37 1.16 -0.94 2.29 -1.33 0.00 0.00 177.39 178.93 2ajr n LYS 206 N 3.71 0.46 -2.49 3.23 0.00 -1.26 -4.99 118.16 116.83 2ajr n LYS 206 Ca 0.30 0.19 -0.24 0.00 -0.00 0.00 0.00 58.31 58.57 2ajr n LYS 206 Cb 0.40 -1.29 0.04 0.00 -0.00 0.00 0.00 35.03 34.18 2ajr n LYS 206 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.40 178.35 2ajr s THR 207 N -2.58 2.83 0.33 0.58 -4.23 -1.26 -4.99 115.64 106.32 2ajr s THR 207 Ca -0.28 -0.41 0.03 0.00 -1.18 0.00 0.00 61.69 59.85 2ajr s THR 207 Cb 0.08 -3.12 0.16 0.00 1.34 0.00 0.00 72.50 70.96 2ajr s THR 207 CO 0.38 -0.11 1.87 0.15 -0.54 0.00 0.00 174.62 176.37 2ajr h PHE 208 N -0.16 0.61 0.00 3.99 3.57 -2.01 -2.46 116.94 120.48 2ajr h PHE 208 Ca -0.44 -0.06 -0.06 0.00 3.53 0.00 0.00 57.97 60.95 2ajr h PHE 208 Cb 1.29 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 39.84 2ajr h PHE 208 CO 0.38 0.56 -0.27 0.22 -2.23 0.00 0.00 178.31 176.97 2ajr h ASP 209 N 0.57 0.00 -0.26 0.41 3.58 -1.99 -1.78 116.42 116.96 2ajr h ASP 209 Ca 0.13 0.00 -0.03 0.00 0.42 0.00 0.00 57.03 57.54 2ajr h ASP 209 Cb 0.30 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.34 2ajr h ASP 209 CO 0.01 0.27 0.04 0.44 -2.88 0.00 0.00 179.24 177.11 2ajr h ASP 210 N 0.00 0.42 -0.60 2.28 3.32 -1.79 -0.25 116.42 119.79 2ajr h ASP 210 Ca -0.00 -0.27 -0.09 0.00 0.02 0.00 0.00 57.03 56.69 2ajr h ASP 210 Cb 0.48 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.90 2ajr h ASP 210 CO 0.04 0.58 0.03 1.88 -1.72 0.00 0.00 179.24 180.04 2ajr h TYR 211 N 0.24 1.13 -0.26 4.55 -1.99 -1.43 0.41 116.97 119.63 2ajr h TYR 211 Ca 0.08 -0.18 -0.00 0.00 2.00 0.00 0.00 58.73 60.62 2ajr h TYR 211 Cb 0.34 -0.30 -0.01 0.00 2.00 0.00 0.00 36.73 38.76 2ajr h TYR 211 CO 0.02 0.99 0.15 0.28 -0.00 0.00 0.00 178.16 179.61 2ajr h VAL 212 N 0.97 1.10 -0.42 -2.88 2.07 -1.28 -0.46 116.25 115.35 2ajr h VAL 212 Ca 0.18 -0.24 -0.08 0.00 0.82 0.00 0.00 66.70 67.37 2ajr h VAL 212 Cb 0.52 0.80 -0.02 0.00 -1.52 0.00 0.00 31.29 31.07 2ajr h VAL 212 CO 0.03 0.10 -0.08 0.50 0.02 0.00 0.00 177.57 178.13 2ajr h LYS 213 N 0.32 0.73 -0.58 1.57 3.64 -0.62 0.11 116.57 121.73 2ajr h LYS 213 Ca 0.09 -0.22 -0.02 0.00 -1.27 0.00 0.00 60.65 59.23 2ajr h LYS 213 Cb 0.02 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 31.75 2ajr h LYS 213 CO -0.02 0.79 0.28 1.25 -2.27 0.00 0.00 179.45 179.49 2ajr h LEU 214 N 0.67 0.76 -0.88 5.20 5.85 -0.76 -1.11 115.31 125.04 2ajr h LEU 214 Ca 0.12 -0.13 -0.04 0.00 0.84 0.00 0.00 57.88 58.67 2ajr h LEU 214 Cb 0.53 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 41.33 2ajr h LEU 214 CO 0.03 0.68 0.35 0.00 -0.34 0.00 0.00 178.44 179.16 2ajr h ALA 215 N 1.11 1.12 -0.58 1.25 0.00 0.20 -2.59 119.26 119.77 2ajr h ALA 215 Ca 0.20 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 2ajr h ALA 215 Cb 0.12 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 2ajr h ALA 215 CO -0.03 0.65 0.15 0.93 0.00 0.00 0.00 179.25 180.96 2ajr h GLU 216 N 1.15 0.91 -0.64 0.00 5.08 -0.58 -0.94 114.58 119.55 2ajr h GLU 216 Ca 0.27 -0.21 0.01 0.00 -1.00 0.00 0.00 59.36 58.43 2ajr h GLU 216 Cb 0.16 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.25 2ajr h GLU 216 CO -0.03 0.84 0.42 0.87 -1.00 0.00 0.00 179.01 180.11 2ajr h LYS 217 N 0.82 0.83 -0.46 2.33 1.57 -0.96 -2.39 116.57 118.31 2ajr h LYS 217 Ca 0.18 -0.05 -0.12 0.00 -1.87 0.00 0.00 60.65 58.79 2ajr h LYS 217 Cb 0.32 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.43 2ajr h LYS 217 CO -0.00 0.55 -0.18 -0.07 -0.57 0.00 0.00 179.45 179.18 2ajr h LEU 218 N 0.86 0.92 -1.21 2.94 3.38 -1.32 -2.88 115.31 117.98 2ajr h LEU 218 Ca 0.24 -0.32 0.00 0.00 0.09 0.00 0.00 57.88 57.89 2ajr h LEU 218 Cb -0.08 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.42 2ajr h LEU 218 CO -0.06 1.08 0.00 0.00 0.09 0.00 0.00 178.44 179.55 2ajr h ALA 219 N 0.99 1.00 -0.44 1.53 0.00 -0.69 -0.63 119.26 121.02 2ajr h ALA 219 Ca 0.11 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.94 2ajr h ALA 219 Cb 0.72 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 2ajr h ALA 219 CO 0.06 0.00 -0.06 0.93 0.00 0.00 0.00 179.25 180.18 2ajr h GLU 220 N 0.00 0.81 0.00 0.00 5.08 -1.22 -3.38 114.58 115.88 2ajr h GLU 220 Ca 0.00 -0.29 -0.26 0.00 -1.00 0.00 0.00 59.36 57.81 2ajr h GLU 220 Cb 0.17 -0.06 -0.05 0.00 0.50 0.00 0.00 28.75 29.31 2ajr h GLU 220 CO 0.00 0.90 -1.99 1.63 -1.00 0.00 0.00 179.01 178.55 2ajr n LYS 221 N -4.33 1.60 -3.66 2.33 5.02 -1.00 -4.95 118.16 113.18 2ajr n LYS 221 Ca -0.00 -0.00 -0.26 0.00 -2.02 0.00 0.00 58.31 56.02 2ajr n LYS 221 Cb 0.34 -1.37 -0.03 0.00 -0.02 0.00 0.00 35.03 33.95 2ajr n LYS 221 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 2ajr s SER 222 N -4.81 6.36 0.14 4.39 0.01 -0.28 -4.80 113.70 114.72 2ajr s SER 222 Ca -0.08 0.38 -0.05 0.00 1.31 0.00 0.00 55.95 57.51 2ajr s SER 222 Cb 0.04 -2.00 -0.05 0.00 0.21 0.00 0.00 66.02 64.22 2ajr s SER 222 CO 0.59 -0.10 1.35 1.56 0.41 0.00 0.00 173.24 177.05 2ajr h GLN 223 N 1.67 0.48 -3.47 12.44 4.20 -1.17 -3.38 115.11 125.88 2ajr h GLN 223 Ca -0.49 -0.45 -0.25 0.00 0.06 0.00 0.00 58.65 57.52 2ajr h GLN 223 Cb 1.20 0.11 -0.31 0.00 0.30 0.00 0.00 27.48 28.78 2ajr h GLN 223 CO 0.66 1.09 -0.66 0.54 -0.67 0.00 0.00 178.83 179.79 2ajr s VAL 224 N -3.49 -0.03 -0.08 -0.54 0.11 -0.40 -4.15 120.40 111.83 2ajr s VAL 224 Ca -0.07 0.12 0.01 0.00 -2.93 0.00 0.00 61.98 59.12 2ajr s VAL 224 Cb 0.09 -0.13 -0.03 0.00 -1.53 0.00 0.00 36.38 34.78 2ajr s VAL 224 CO 0.87 0.05 -0.09 -0.94 -3.33 0.00 0.00 175.10 171.66 2ajr s SER 225 N 0.70 4.45 -0.23 3.54 1.04 -0.62 -1.06 113.70 121.53 2ajr s SER 225 Ca -0.06 -0.11 0.02 0.00 0.48 0.00 0.00 55.95 56.29 2ajr s SER 225 Cb -0.08 -1.21 0.05 0.00 0.10 0.00 0.00 66.02 64.88 2ajr s SER 225 CO -0.03 0.32 -0.13 -0.69 0.98 0.00 0.00 173.24 173.69 2ajr s VAL 226 N -0.53 2.03 -0.15 5.02 1.01 -0.42 -1.42 120.40 125.94 2ajr s VAL 226 Ca 0.08 -1.34 0.00 0.00 0.00 0.00 0.00 61.98 60.73 2ajr s VAL 226 Cb -0.12 -2.06 0.02 0.00 0.00 0.00 0.00 36.38 34.23 2ajr s VAL 226 CO 0.02 0.15 -0.15 -0.69 0.00 0.00 0.00 175.10 174.43 2ajr s VAL 227 N 1.21 1.61 0.39 2.92 1.01 0.57 -3.85 120.40 124.26 2ajr s VAL 227 Ca -0.04 -0.66 -0.25 0.00 0.00 0.00 0.00 61.98 61.03 2ajr s VAL 227 Cb -0.18 -1.51 -0.09 0.00 0.00 0.00 0.00 36.38 34.61 2ajr s VAL 227 CO -0.08 0.46 1.14 -0.55 0.00 0.00 0.00 175.10 176.07 2ajr s SER 228 N 1.47 6.61 -0.12 3.32 0.15 -1.26 -0.07 113.70 123.79 2ajr s SER 228 Ca 0.05 2.27 -0.06 0.00 0.70 0.00 0.00 55.95 58.91 2ajr s SER 228 Cb -0.13 -2.61 0.05 0.00 -1.71 0.00 0.00 66.02 61.63 2ajr s SER 228 CO -0.11 -0.61 0.28 -0.47 1.20 0.00 0.00 173.24 173.53 2ajr s TYR 229 N -1.46 -0.41 -1.42 3.44 5.04 0.05 -4.88 117.35 117.71 2ajr s TYR 229 Ca 0.57 0.94 -0.05 0.00 -2.44 0.00 0.00 57.07 56.08 2ajr s TYR 229 Cb -0.29 0.07 0.00 0.00 0.35 0.00 0.00 41.96 42.10 2ajr s TYR 229 CO 0.36 -0.29 0.32 0.39 -1.34 0.00 0.00 175.55 174.99 2ajr n GLU 230 N 4.55 -1.92 0.00 4.97 -0.58 -1.26 -2.03 120.64 124.37 2ajr n GLU 230 Ca -0.20 0.25 0.00 0.00 -0.42 0.00 0.00 57.16 56.80 2ajr n GLU 230 Cb 0.52 -3.92 0.00 0.00 -0.57 0.00 0.00 31.44 27.47 2ajr n GLU 230 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 2ajr n VAL 231 N -4.53 0.00 -1.06 2.62 0.31 -1.26 -4.12 118.33 110.30 2ajr n VAL 231 Ca -0.28 0.00 0.05 0.00 -0.01 0.00 0.00 64.34 64.10 2ajr n VAL 231 Cb 0.67 0.00 0.28 0.00 -0.91 0.00 0.00 33.84 33.88 2ajr n VAL 231 CO 0.00 0.00 0.00 2.29 -1.32 0.00 0.00 176.83 177.80 2ajr n LYS 232 N 0.00 3.11 -4.09 5.55 2.85 -1.24 -4.97 118.16 119.38 2ajr n LYS 232 Ca 0.00 -2.96 -0.10 0.00 -1.05 0.00 0.00 58.31 54.20 2ajr n LYS 232 Cb 0.00 -1.94 -0.10 0.00 -0.65 0.00 0.00 35.03 32.33 2ajr n LYS 232 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 177.40 176.55 2ajr s ASN 233 N -1.77 0.70 -0.02 -5.58 0.01 -0.86 -1.93 114.94 105.49 2ajr s ASN 233 Ca 0.46 -0.81 0.01 0.00 -0.71 0.00 0.00 52.86 51.81 2ajr s ASN 233 Cb 0.37 0.12 0.01 0.00 0.41 0.00 0.00 41.25 42.16 2ajr s ASN 233 CO 0.09 -0.42 -0.04 -1.81 -1.51 0.00 0.00 177.10 173.41 2ajr s ASP 234 N -2.40 0.70 -0.14 -1.22 1.01 -0.03 -0.77 116.67 113.81 2ajr s ASP 234 Ca 0.01 -0.10 -0.16 0.00 0.71 0.00 0.00 52.55 53.01 2ajr s ASP 234 Cb 0.00 -0.23 -0.04 0.00 1.01 0.00 0.00 42.92 43.65 2ajr s ASP 234 CO -0.05 -0.01 0.38 -0.63 0.21 0.00 0.00 175.17 175.07 2ajr s ILE 235 N 0.45 5.25 -0.17 0.77 1.01 0.90 -0.55 121.20 128.87 2ajr s ILE 235 Ca -0.05 0.73 -0.00 0.00 0.00 0.00 0.00 60.65 61.33 2ajr s ILE 235 Cb -0.09 -3.72 0.00 0.00 0.01 0.00 0.00 42.46 38.67 2ajr s ILE 235 CO -0.00 0.36 -0.15 -0.69 0.00 0.00 0.00 174.94 174.45 2ajr s VAL 236 N 0.55 2.62 -0.09 2.92 1.01 0.12 -0.31 120.40 127.23 2ajr s VAL 236 Ca 0.21 -0.77 0.02 0.00 0.00 0.00 0.00 61.98 61.44 2ajr s VAL 236 Cb -0.14 -2.12 0.01 0.00 0.00 0.00 0.00 36.38 34.14 2ajr s VAL 236 CO 0.07 0.51 -0.15 0.00 0.00 0.00 0.00 175.10 175.52 2ajr s ALA 237 N 0.96 1.58 0.31 5.51 0.00 -0.51 0.63 121.76 130.25 2ajr s ALA 237 Ca -0.02 -0.63 0.02 0.00 0.00 0.00 0.00 51.96 51.33 2ajr s ALA 237 Cb -0.15 -0.71 -0.01 0.00 0.00 0.00 0.00 23.12 22.25 2ajr s ALA 237 CO -0.03 0.07 0.08 0.25 0.00 0.00 0.00 175.76 176.14 2ajr n THR 238 N 3.92 0.00 0.24 0.00 -2.24 -0.19 -1.59 114.28 114.43 2ajr n THR 238 Ca -0.21 -1.73 0.07 0.00 -2.27 0.00 0.00 64.05 59.91 2ajr n THR 238 Cb 0.52 0.56 0.58 0.00 -2.10 0.00 0.00 70.33 69.89 2ajr n THR 238 CO 0.00 0.00 0.00 0.08 -0.57 0.00 0.00 175.07 174.58 2ajr h ARG 239 N 0.00 0.00 0.00 -0.78 0.11 -1.81 -2.93 114.38 108.97 2ajr h ARG 239 Ca -0.25 0.00 -0.20 0.00 0.10 0.00 0.00 59.98 59.64 2ajr h ARG 239 Cb 0.89 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 31.94 2ajr h ARG 239 CO 0.40 0.11 -0.96 0.93 0.10 0.00 0.00 179.97 180.55 2ajr h GLU 240 N 0.00 0.00 0.00 0.08 5.08 -1.96 -3.50 114.58 114.28 2ajr h GLU 240 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2ajr h GLU 240 Cb 0.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.44 2ajr h GLU 240 CO 0.01 0.89 0.00 0.41 -1.00 0.00 0.00 179.01 179.32 2ajr n GLY 241 N 1.34 -1.34 2.99 -3.84 0.00 -1.11 -5.08 105.19 98.15 2ajr n GLY 241 Ca -0.01 -1.08 -0.23 0.00 0.00 0.00 0.00 46.02 44.71 2ajr n GLY 241 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2ajr s VAL 242 N -2.99 0.95 0.29 1.61 1.01 -1.26 -1.02 120.40 118.99 2ajr s VAL 242 Ca 0.00 -0.38 0.12 0.00 0.00 0.00 0.00 61.98 61.72 2ajr s VAL 242 Cb 0.00 -0.89 -0.05 0.00 0.00 0.00 0.00 36.38 35.44 2ajr s VAL 242 CO 0.00 0.31 -0.19 0.26 0.00 0.00 0.00 175.10 175.49 2ajr s TRP 243 N 0.69 2.31 -0.14 5.22 0.51 0.21 0.23 118.94 127.96 2ajr s TRP 243 Ca -0.13 -0.35 -0.00 0.00 -2.12 0.00 0.00 56.10 53.50 2ajr s TRP 243 Cb -0.15 -1.04 0.03 0.00 -0.81 0.00 0.00 33.47 31.51 2ajr s TRP 243 CO 0.03 0.70 -0.07 -1.17 -0.51 0.00 0.00 176.95 175.93 2ajr s LEU 244 N -3.52 1.40 -0.19 2.99 2.96 -0.05 0.15 118.68 122.42 2ajr s LEU 244 Ca 0.30 -0.48 -0.13 0.00 -0.22 0.00 0.00 54.13 53.61 2ajr s LEU 244 Cb -0.04 -0.89 -0.05 0.00 0.50 0.00 0.00 46.19 45.72 2ajr s LEU 244 CO 0.15 -0.15 0.26 -0.63 -1.32 0.00 0.00 176.35 174.66 2ajr s ILE 245 N 1.67 5.32 -0.08 6.68 1.01 0.29 -1.14 121.20 134.94 2ajr s ILE 245 Ca 0.03 0.45 0.02 0.00 0.00 0.00 0.00 60.65 61.15 2ajr s ILE 245 Cb -0.14 -3.60 0.01 0.00 0.01 0.00 0.00 42.46 38.75 2ajr s ILE 245 CO -0.08 0.36 -0.14 -0.13 0.00 0.00 0.00 174.94 174.95 2ajr s ARG 246 N 0.72 1.99 0.33 2.79 0.52 -0.67 -0.85 118.95 123.77 2ajr s ARG 246 Ca 0.14 -0.51 -0.29 0.00 -0.52 0.00 0.00 55.73 54.55 2ajr s ARG 246 Cb -0.13 -1.61 -0.11 0.00 0.52 0.00 0.00 34.95 33.62 2ajr s ARG 246 CO 0.04 0.04 1.44 0.45 0.02 0.00 0.00 175.30 177.29 2ajr s SER 247 N 0.66 6.52 0.37 0.23 0.15 -0.81 -1.96 113.70 118.86 2ajr s SER 247 Ca -0.14 2.87 0.19 0.00 0.70 0.00 0.00 55.95 59.56 2ajr s SER 247 Cb -0.16 -2.65 0.67 0.00 -1.71 0.00 0.00 66.02 62.17 2ajr s SER 247 CO 0.04 -0.76 1.73 0.11 1.20 0.00 0.00 173.24 175.57 2ajr h LYS 248 N 3.74 0.00 -5.83 5.44 1.57 -1.31 -3.46 116.57 116.73 2ajr h LYS 248 Ca -0.49 0.00 -0.52 0.00 -1.87 0.00 0.00 60.65 57.77 2ajr h LYS 248 Cb 1.23 0.00 -0.14 0.00 0.08 0.00 0.00 32.23 33.40 2ajr h LYS 248 CO 0.69 0.38 -0.74 -1.21 -0.57 0.00 0.00 179.45 178.00 2ajr s GLU 249 N -3.61 1.51 0.50 3.15 8.01 -1.26 -5.09 118.70 121.91 2ajr s GLU 249 Ca 0.00 -1.69 -0.23 0.00 0.01 0.00 0.00 54.97 53.06 2ajr s GLU 249 Cb 0.11 -1.41 -0.06 0.00 -4.31 0.00 0.00 34.13 28.46 2ajr s GLU 249 CO 0.69 0.23 1.31 -1.21 0.01 0.00 0.00 175.26 176.29 2ajr s GLU 250 N -3.60 3.43 0.11 1.61 2.02 -1.26 -5.02 118.70 116.00 2ajr s GLU 250 Ca 0.27 2.13 0.03 0.00 0.02 0.00 0.00 54.97 57.42 2ajr s GLU 250 Cb -0.02 -2.38 -0.04 0.00 0.10 0.00 0.00 34.13 31.79 2ajr s GLU 250 CO 0.11 -0.93 0.17 0.96 0.02 0.00 0.00 175.26 175.59 2ajr s ILE 251 N -1.35 4.87 -0.41 -1.63 -4.36 -1.26 -5.05 121.20 112.01 2ajr s ILE 251 Ca 0.67 -0.76 -0.29 0.00 -0.26 0.00 0.00 60.65 60.01 2ajr s ILE 251 Cb -0.38 -3.43 0.01 0.00 1.25 0.00 0.00 42.46 39.92 2ajr s ILE 251 CO 0.45 0.01 1.39 -0.62 0.24 0.00 0.00 174.94 176.42 2ajr s ASP 252 N -2.80 6.37 0.52 4.36 -1.08 -1.26 -4.87 116.67 117.90 2ajr s ASP 252 Ca 0.32 0.83 0.30 0.00 -0.52 0.00 0.00 52.55 53.48 2ajr s ASP 252 Cb -0.11 -2.54 1.36 0.00 -1.46 0.00 0.00 42.92 40.17 2ajr s ASP 252 CO 0.25 -1.40 2.00 0.00 0.52 0.00 0.00 175.17 176.54 2ajr h THR 253 N 6.42 0.36 0.00 1.71 1.03 -1.95 -1.47 112.91 119.01 2ajr h THR 253 Ca -0.27 -0.66 0.00 0.00 -0.01 0.00 0.00 66.41 65.47 2ajr h THR 253 Cb 1.10 1.49 0.00 0.00 -1.07 0.00 0.00 68.15 69.67 2ajr h THR 253 CO 1.08 0.11 0.00 -1.54 -0.01 0.00 0.00 175.52 175.16 2ajr n SER 254 N -3.37 0.56 -0.97 0.00 3.41 -1.26 -3.58 113.62 108.42 2ajr n SER 254 Ca -0.01 0.57 0.08 0.00 -0.26 0.00 0.00 58.87 59.25 2ajr n SER 254 Cb 0.30 -0.71 0.23 0.00 -0.26 0.00 0.00 64.21 63.76 2ajr n SER 254 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 2ajr n HIS 255 N -2.04 0.73 1.17 7.33 8.25 -0.55 -4.61 115.22 125.49 2ajr n HIS 255 Ca 0.05 -0.35 0.14 0.00 -0.26 0.00 0.00 57.72 57.31 2ajr n HIS 255 Cb 0.37 -0.03 0.62 0.00 1.12 0.00 0.00 29.99 32.07 2ajr n HIS 255 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 2ajr n LEU 256 N 0.92 0.10 -4.64 2.41 4.77 -1.23 -4.30 117.00 115.04 2ajr n LEU 256 Ca 0.17 0.33 -0.42 0.00 -0.03 0.00 0.00 56.01 56.06 2ajr n LEU 256 Cb 0.46 -0.38 -0.03 0.00 -2.33 0.00 0.00 43.42 41.14 2ajr n LEU 256 CO 0.12 0.02 1.69 -0.22 -1.33 0.00 0.00 177.39 177.68 2ajr s LEU 257 N -2.82 4.03 0.00 2.23 2.96 -1.26 -1.26 118.68 122.55 2ajr s LEU 257 Ca 0.20 2.33 0.00 0.00 -0.22 0.00 0.00 54.13 56.43 2ajr s LEU 257 Cb 0.19 -3.52 0.00 0.00 0.50 0.00 0.00 46.19 43.36 2ajr s LEU 257 CO 0.52 -1.42 0.00 0.61 -1.32 0.00 0.00 176.35 174.74 2ajr n GLY 258 N 5.02 0.46 0.30 7.98 0.00 -1.26 -4.16 105.19 113.54 2ajr n GLY 258 Ca 0.24 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.21 2ajr n GLY 258 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ajr h ALA 259 N 0.00 0.99 0.00 4.61 0.00 -1.49 -1.80 119.26 121.56 2ajr h ALA 259 Ca 0.00 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 2ajr h ALA 259 Cb 0.17 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 2ajr h ALA 259 CO 0.00 0.42 -0.08 0.78 0.00 0.00 0.00 179.25 180.37 2ajr h GLY 260 N 1.06 0.00 1.21 0.00 0.00 -1.91 -0.06 103.07 103.36 2ajr h GLY 260 Ca 0.28 0.00 -0.30 0.00 0.00 0.00 0.00 47.33 47.31 2ajr h GLY 260 CO -0.06 0.00 -1.55 -0.55 0.00 0.00 0.00 176.54 174.38 2ajr h ASP 261 N 0.00 0.35 -0.62 0.19 3.32 -1.80 -2.71 116.42 115.16 2ajr h ASP 261 Ca -0.00 -0.51 0.02 0.00 0.02 0.00 0.00 57.03 56.56 2ajr h ASP 261 Cb 0.26 -0.12 -0.03 0.00 0.22 0.00 0.00 39.33 39.66 2ajr h ASP 261 CO 0.01 1.43 0.41 0.00 -1.72 0.00 0.00 179.24 179.37 2ajr h ALA 262 N 0.52 1.60 -0.15 3.45 0.00 -0.79 -0.57 119.26 123.33 2ajr h ALA 262 Ca -0.25 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 54.65 2ajr h ALA 262 Cb 2.01 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 19.54 2ajr h ALA 262 CO 0.15 0.36 0.02 -0.92 0.00 0.00 0.00 179.25 178.86 2ajr h TYR 263 N 0.80 0.03 -0.28 0.00 5.03 -0.93 -1.11 116.97 120.51 2ajr h TYR 263 Ca 0.23 0.01 -0.14 0.00 2.58 0.00 0.00 58.73 61.41 2ajr h TYR 263 Cb -0.03 0.01 -0.00 0.00 1.55 0.00 0.00 36.73 38.25 2ajr h TYR 263 CO -0.00 0.01 -0.39 0.28 -1.32 0.00 0.00 178.16 176.73 2ajr h VAL 264 N 0.08 1.30 -0.84 1.81 2.07 -1.25 -2.98 116.25 116.44 2ajr h VAL 264 Ca 0.07 -1.58 0.04 0.00 0.82 0.00 0.00 66.70 66.05 2ajr h VAL 264 Cb 0.07 1.63 -0.05 0.00 -1.52 0.00 0.00 31.29 31.42 2ajr h VAL 264 CO -0.10 0.51 0.53 0.00 0.02 0.00 0.00 177.57 178.53 2ajr h ALA 265 N 0.68 1.12 0.00 1.67 0.00 -0.92 -1.15 119.26 120.67 2ajr h ALA 265 Ca 0.03 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2ajr h ALA 265 Cb 0.98 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.51 2ajr h ALA 265 CO 0.09 0.33 0.00 0.41 0.00 0.00 0.00 179.25 180.08 2ajr n GLY 266 N -1.33 0.00 1.61 0.00 0.00 -0.44 -0.38 105.19 104.66 2ajr n GLY 266 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 2ajr n GLY 266 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2ajr n VAL 268 N 0.39 0.00 -0.03 1.61 0.31 -0.44 -0.50 118.33 119.68 2ajr n VAL 268 Ca 0.00 0.00 -0.09 0.00 -0.01 0.00 0.00 64.34 64.24 2ajr n VAL 268 Cb 0.00 0.00 -0.03 0.00 -0.91 0.00 0.00 33.84 32.90 2ajr n VAL 268 CO 0.00 0.00 0.00 0.22 -1.32 0.00 0.00 176.83 175.73 2ajr h TYR 269 N 0.00 -0.06 -0.24 3.52 3.20 -0.97 -1.11 116.97 121.31 2ajr h TYR 269 Ca 0.00 0.01 0.04 0.00 3.14 0.00 0.00 58.73 61.93 2ajr h TYR 269 Cb 0.00 0.05 -0.04 0.00 1.54 0.00 0.00 36.73 38.28 2ajr h TYR 269 CO 0.00 -0.06 -0.01 -0.92 -1.64 0.00 0.00 178.16 175.53 2ajr h TYR 270 N 0.02 -0.03 -0.13 -3.82 5.03 -1.05 -0.10 116.97 116.89 2ajr h TYR 270 Ca 0.09 0.02 0.04 0.00 2.58 0.00 0.00 58.73 61.46 2ajr h TYR 270 Cb 0.12 0.05 -0.05 0.00 1.55 0.00 0.00 36.73 38.40 2ajr h TYR 270 CO -0.19 -0.05 -0.18 0.35 -1.32 0.00 0.00 178.16 176.77 2ajr h PHE 271 N 0.06 -0.47 0.02 -3.82 3.57 -1.61 0.50 116.94 115.19 2ajr h PHE 271 Ca 0.12 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.64 2ajr h PHE 271 Cb 0.15 0.23 0.00 0.00 2.79 0.00 0.00 35.95 39.12 2ajr h PHE 271 CO -0.20 -0.26 -0.01 0.82 -2.23 0.00 0.00 178.31 176.43 2ajr h ILE 272 N -0.23 1.01 -0.03 1.41 2.04 -0.97 0.28 117.51 121.03 2ajr h ILE 272 Ca 0.10 -0.09 -0.21 0.00 1.00 0.00 0.00 64.86 65.66 2ajr h ILE 272 Cb 0.37 1.07 -0.00 0.00 -0.74 0.00 0.00 36.82 37.52 2ajr h ILE 272 CO -0.27 0.02 -0.87 0.11 0.00 0.00 0.00 178.15 177.15 2ajr h LYS 273 N -0.06 0.39 0.00 2.37 1.79 -0.82 -3.39 116.57 116.84 2ajr h LYS 273 Ca -0.00 -0.38 0.00 0.00 -2.18 0.00 0.00 60.65 58.09 2ajr h LYS 273 Cb 0.05 0.10 0.00 0.00 -1.58 0.00 0.00 32.23 30.80 2ajr h LYS 273 CO 0.00 1.05 0.00 0.72 -1.08 0.00 0.00 179.45 180.14 2ajr n HIS 274 N -3.77 0.00 -2.15 -1.35 8.25 0.18 -5.08 115.22 111.30 2ajr n HIS 274 Ca -0.06 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.40 2ajr n HIS 274 Cb 0.79 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.90 2ajr n HIS 274 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2ajr n GLY 275 N 0.03 -2.18 1.88 -1.41 0.00 0.97 -4.66 105.19 99.83 2ajr n GLY 275 Ca 0.00 -1.65 -0.11 0.00 0.00 0.00 0.00 46.02 44.26 2ajr n GLY 275 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ajr n ALA 276 N -0.08 5.36 -2.80 4.61 0.00 -1.26 -4.12 120.51 122.22 2ajr n ALA 276 Ca 0.00 -1.34 -0.43 0.00 0.00 0.00 0.00 53.44 51.67 2ajr n ALA 276 Cb 0.00 -1.68 -0.03 0.00 0.00 0.00 0.00 19.45 17.74 2ajr n ALA 276 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 2ajr s ASN 277 N 1.46 6.49 0.14 0.00 3.84 -1.26 -4.93 114.94 120.68 2ajr s ASN 277 Ca 0.37 -1.63 -0.18 0.00 0.21 0.00 0.00 52.86 51.63 2ajr s ASN 277 Cb 0.21 -2.46 0.00 0.00 -0.55 0.00 0.00 41.25 38.45 2ajr s ASN 277 CO -0.03 -1.29 1.76 -0.26 -2.79 0.00 0.00 177.10 174.49 2ajr h PHE 278 N 9.28 0.23 -0.72 0.43 0.04 -1.99 -2.36 116.94 121.84 2ajr h PHE 278 Ca 0.07 0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.85 2ajr h PHE 278 Cb 1.03 -0.06 -0.04 0.00 2.20 0.00 0.00 35.95 39.08 2ajr h PHE 278 CO 1.16 0.12 0.45 1.25 -0.60 0.00 0.00 178.31 180.69 2ajr h LEU 279 N 0.27 0.85 -2.78 1.54 5.85 -2.01 -0.75 115.31 118.28 2ajr h LEU 279 Ca 0.12 -0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.80 2ajr h LEU 279 Cb 0.06 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 40.88 2ajr h LEU 279 CO -0.10 0.65 0.00 -0.62 -0.34 0.00 0.00 178.44 178.02 2ajr n GLU 280 N -4.55 0.48 0.00 1.25 -0.58 -0.89 -1.20 120.64 115.16 2ajr n GLU 280 Ca 0.06 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.80 2ajr n GLU 280 Cb 0.04 -1.26 0.00 0.00 -0.57 0.00 0.00 31.44 29.65 2ajr n GLU 280 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2ajr n ALA 282 N 1.28 0.00 -0.04 0.62 0.00 -0.29 -0.70 120.51 121.37 2ajr n ALA 282 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.31 2ajr n ALA 282 Cb 0.24 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.61 2ajr n ALA 282 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 2ajr h LYS 283 N 0.00 0.22 -0.75 0.00 1.57 -1.41 -0.66 116.57 115.54 2ajr h LYS 283 Ca 0.00 -0.10 -0.04 0.00 -1.87 0.00 0.00 60.65 58.64 2ajr h LYS 283 Cb 0.00 -0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.27 2ajr h LYS 283 CO 0.00 0.59 0.29 0.35 -0.57 0.00 0.00 179.45 180.11 2ajr h PHE 284 N -0.15 1.14 -0.59 -1.35 3.04 -1.19 0.44 116.94 118.29 2ajr h PHE 284 Ca 0.02 -0.09 0.07 0.00 3.98 0.00 0.00 57.97 61.95 2ajr h PHE 284 Cb 0.52 -0.34 -0.06 0.00 2.56 0.00 0.00 35.95 38.63 2ajr h PHE 284 CO 0.07 0.87 0.28 0.78 -2.02 0.00 0.00 178.31 178.29 2ajr h GLY 285 N 1.08 0.84 1.00 2.40 0.00 -1.76 -0.06 103.07 106.57 2ajr h GLY 285 Ca 0.25 -0.18 -0.04 0.00 0.00 0.00 0.00 47.33 47.36 2ajr h GLY 285 CO -0.02 0.07 0.21 -2.75 0.00 0.00 0.00 176.54 174.06 2ajr h PHE 286 N 0.52 0.93 -0.90 5.60 3.04 -0.09 0.20 116.94 126.24 2ajr h PHE 286 Ca 0.28 -0.08 -0.01 0.00 3.98 0.00 0.00 57.97 62.13 2ajr h PHE 286 Cb 0.24 -0.27 -0.04 0.00 2.56 0.00 0.00 35.95 38.44 2ajr h PHE 286 CO -0.12 0.76 0.51 0.00 -2.02 0.00 0.00 178.31 177.44 2ajr h ALA 287 N 1.07 1.15 -0.27 2.41 0.00 -0.71 -0.82 119.26 122.09 2ajr h ALA 287 Ca 0.20 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 54.92 2ajr h ALA 287 Cb 0.24 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 2ajr h ALA 287 CO -0.01 0.64 -0.06 1.03 0.00 0.00 0.00 179.25 180.85 2ajr h SER 288 N 1.25 0.52 -0.85 0.00 0.87 -0.47 -1.66 113.55 113.21 2ajr h SER 288 Ca 0.32 -0.36 0.05 0.00 -1.23 0.00 0.00 61.79 60.57 2ajr h SER 288 Cb 0.01 -0.14 -0.06 0.00 -0.44 0.00 0.00 62.40 61.77 2ajr h SER 288 CO -0.05 0.76 0.54 0.00 -0.53 0.00 0.00 176.83 177.54 2ajr h ALA 289 N 0.78 1.16 -0.57 6.23 0.00 -0.25 -1.53 119.26 125.08 2ajr h ALA 289 Ca 0.07 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 2ajr h ALA 289 Cb 0.52 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 2ajr h ALA 289 CO 0.03 0.31 0.24 -0.07 0.00 0.00 0.00 179.25 179.75 2ajr h LEU 290 N 1.00 0.78 -0.77 0.00 3.38 -0.99 -2.26 115.31 116.45 2ajr h LEU 290 Ca 0.36 -0.16 -0.00 0.00 0.09 0.00 0.00 57.88 58.16 2ajr h LEU 290 Cb 0.12 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.63 2ajr h LEU 290 CO -0.15 0.73 0.47 0.00 0.09 0.00 0.00 178.44 179.57 2ajr h ALA 291 N 1.08 0.99 -0.64 1.53 0.00 -0.79 -1.82 119.26 119.61 2ajr h ALA 291 Ca 0.19 -0.09 0.04 0.00 0.00 0.00 0.00 54.91 55.05 2ajr h ALA 291 Cb 0.19 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 17.63 2ajr h ALA 291 CO -0.02 0.45 0.42 0.00 0.00 0.00 0.00 179.25 180.11 2ajr h ALA 292 N 1.25 1.67 0.00 0.00 0.00 -1.00 -1.82 119.26 119.35 2ajr h ALA 292 Ca 0.28 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.16 2ajr h ALA 292 Cb -0.04 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.55 2ajr h ALA 292 CO -0.05 0.25 0.00 0.25 0.00 0.00 0.00 179.25 179.70 2ajr n THR 293 N -4.46 0.12 1.76 0.00 -2.24 -0.69 -2.99 114.28 105.77 2ajr n THR 293 Ca 0.08 0.03 0.15 0.00 -2.27 0.00 0.00 64.05 62.05 2ajr n THR 293 Cb 0.15 -0.63 0.87 0.00 -2.10 0.00 0.00 70.33 68.62 2ajr n THR 293 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2ajr n ARG 294 N -1.15 0.76 -4.18 -0.78 5.12 -0.69 -4.65 116.66 111.09 2ajr n ARG 294 Ca 0.15 0.00 -0.16 0.00 -1.93 0.00 0.00 57.85 55.91 2ajr n ARG 294 Cb 0.14 -1.50 -0.13 0.00 -1.16 0.00 0.00 32.46 29.82 2ajr n ARG 294 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 2ajr s ARG 295 N -2.24 0.68 0.35 5.56 0.52 -1.16 -5.04 118.95 117.62 2ajr s ARG 295 Ca 0.40 -0.70 0.15 0.00 -0.52 0.00 0.00 55.73 55.06 2ajr s ARG 295 Cb 0.21 -0.59 0.65 0.00 0.52 0.00 0.00 34.95 35.74 2ajr s ARG 295 CO 0.41 0.14 1.75 1.57 0.02 0.00 0.00 175.30 179.18 2ajr h LYS 296 N 4.83 0.00 -7.35 3.54 2.10 -1.87 -3.43 116.57 114.40 2ajr h LYS 296 Ca -0.36 0.00 -0.50 0.00 -2.00 0.00 0.00 60.65 57.79 2ajr h LYS 296 Cb 1.19 0.00 0.13 0.00 -0.90 0.00 0.00 32.23 32.65 2ajr h LYS 296 CO 0.43 0.43 0.30 -1.21 -2.00 0.00 0.00 179.45 177.40 2ajr s GLU 297 N -3.82 1.90 -0.32 0.07 8.01 -1.26 -4.71 118.70 118.57 2ajr s GLU 297 Ca -0.01 0.89 -0.27 0.00 0.01 0.00 0.00 54.97 55.58 2ajr s GLU 297 Cb 0.13 -1.88 -0.06 0.00 -4.31 0.00 0.00 34.13 28.01 2ajr s GLU 297 CO 0.71 -1.82 2.29 0.21 0.01 0.00 0.00 175.26 176.67 2ajr s LYS 298 N -4.99 2.74 0.00 1.61 2.20 -1.26 -4.76 119.74 115.29 2ajr s LYS 298 Ca 0.62 1.80 0.00 0.00 -0.36 0.00 0.00 55.97 58.03 2ajr s LYS 298 Cb -0.16 -4.45 0.00 0.00 -1.51 0.00 0.00 37.83 31.70 2ajr s LYS 298 CO 0.56 -2.55 0.00 0.98 -0.36 0.00 0.00 175.35 173.98 2ajr n TYR 299 N 13.29 0.00 -4.06 4.03 9.36 -1.26 -5.08 117.16 133.43 2ajr n TYR 299 Ca 0.32 0.00 -0.09 0.00 3.32 0.00 0.00 57.90 61.46 2ajr n TYR 299 Cb 0.49 0.00 -0.10 0.00 -0.63 0.00 0.00 39.34 39.09 2ajr n TYR 299 CO 0.00 0.00 0.00 -1.25 0.22 0.00 0.00 176.86 175.83 2ajr s PRO 301 N -0.50 0.53 0.67 2.98 0.04 -1.26 -4.56 135.00 132.89 2ajr s PRO 301 Ca 0.00 -0.98 -0.01 0.00 0.04 0.00 0.00 61.00 60.05 2ajr s PRO 301 Cb 0.00 0.07 0.09 0.00 0.04 0.00 0.00 34.50 34.71 2ajr s PRO 301 CO 0.00 -0.06 0.93 0.16 0.04 0.00 0.00 177.00 178.07 2ajr s ASP 302 N -2.31 4.67 0.14 6.66 1.47 -1.26 -4.75 116.67 121.28 2ajr s ASP 302 Ca -0.02 -0.19 -0.18 0.00 1.18 0.00 0.00 52.55 53.34 2ajr s ASP 302 Cb -0.00 -0.37 -0.01 0.00 -0.34 0.00 0.00 42.92 42.20 2ajr s ASP 302 CO -0.05 -1.62 1.76 0.25 0.68 0.00 0.00 175.17 176.19 2ajr h LEU 303 N -0.35 0.17 -0.52 2.11 5.85 -1.96 -1.08 115.31 119.54 2ajr h LEU 303 Ca -0.39 0.02 0.05 0.00 0.84 0.00 0.00 57.88 58.40 2ajr h LEU 303 Cb 1.28 -0.01 -0.07 0.00 0.37 0.00 0.00 40.66 42.22 2ajr h LEU 303 CO 0.45 0.13 -0.41 -0.33 -0.34 0.00 0.00 178.44 177.95 2ajr h GLU 304 N 0.26 -0.12 -0.97 1.25 4.39 -1.99 0.43 114.58 117.82 2ajr h GLU 304 Ca 0.11 0.01 0.09 0.00 0.34 0.00 0.00 59.36 59.91 2ajr h GLU 304 Cb 0.05 0.03 -0.08 0.00 -0.10 0.00 0.00 28.75 28.65 2ajr h GLU 304 CO -0.09 -0.08 0.61 0.00 -1.16 0.00 0.00 179.01 178.29 2ajr h ALA 305 N -0.16 1.40 0.01 3.43 0.00 -1.79 -2.01 119.26 120.15 2ajr h ALA 305 Ca 0.08 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 2ajr h ALA 305 Cb 0.35 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.90 2ajr h ALA 305 CO -0.55 0.29 -0.01 0.82 0.00 0.00 0.00 179.25 179.80 2ajr h ILE 306 N 1.03 1.23 -1.00 0.00 2.04 -0.50 -3.18 117.51 117.13 2ajr h ILE 306 Ca 0.45 -0.72 0.05 0.00 1.00 0.00 0.00 64.86 65.64 2ajr h ILE 306 Cb 0.33 1.72 -0.06 0.00 -0.74 0.00 0.00 36.82 38.07 2ajr h ILE 306 CO -0.22 0.19 0.65 0.11 0.00 0.00 0.00 178.15 178.87 2ajr h LYS 307 N -0.33 1.18 0.00 2.37 1.57 -0.41 -0.76 116.57 120.20 2ajr h LYS 307 Ca -0.00 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 2ajr h LYS 307 Cb 0.32 -0.27 0.00 0.00 0.08 0.00 0.00 32.23 32.36 2ajr h LYS 307 CO 0.00 0.78 0.00 1.57 -0.57 0.00 0.00 179.45 181.24 2ajr h LYS 308 N 1.22 0.00 -0.00 3.15 -0.00 -1.36 -1.31 116.57 118.27 2ajr h LYS 308 Ca 0.41 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 61.06 2ajr h LYS 308 Cb 0.08 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 32.31 2ajr h LYS 308 CO -0.15 0.00 -0.03 0.39 -0.00 0.00 0.00 179.45 179.66 2ajr n GLU 309 N -2.81 0.60 0.29 0.07 -0.58 -0.29 -3.98 120.64 113.94 2ajr n GLU 309 Ca -0.01 -0.07 0.17 0.00 -0.42 0.00 0.00 57.16 56.83 2ajr n GLU 309 Cb 0.13 -1.50 0.83 0.00 -0.57 0.00 0.00 31.44 30.33 2ajr n GLU 309 CO 0.00 0.00 0.00 1.88 -0.48 0.00 0.00 177.13 178.53 2ajr h TYR 310 N 0.16 0.00 -0.18 -0.32 -1.99 -1.34 -0.98 116.97 112.32 2ajr h TYR 310 Ca 0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 2ajr h TYR 310 Cb 0.26 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.99 2ajr h TYR 310 CO 0.00 0.06 0.00 -0.25 -0.00 0.00 0.00 178.16 177.97 2ajr n ASP 311 N -3.30 1.85 -0.83 3.88 8.00 -1.26 -4.17 116.55 120.73 2ajr n ASP 311 Ca -0.01 -1.74 0.07 0.00 0.71 0.00 0.00 54.79 53.82 2ajr n ASP 311 Cb 0.23 -0.12 0.20 0.00 -0.02 0.00 0.00 41.12 41.41 2ajr n ASP 311 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 2ajr n HIS 312 N 0.44 0.60 -4.16 1.24 8.25 -0.37 -4.98 115.22 116.24 2ajr n HIS 312 Ca 0.16 -0.50 -0.10 0.00 -0.26 0.00 0.00 57.72 57.02 2ajr n HIS 312 Cb 0.36 -0.02 -0.10 0.00 1.12 0.00 0.00 29.99 31.35 2ajr n HIS 312 CO 0.00 0.00 0.00 -0.59 0.64 0.00 0.00 176.34 176.39 2ajr s PHE 313 N -1.00 0.95 0.19 4.41 -0.71 -1.25 -0.78 117.98 119.78 2ajr s PHE 313 Ca 0.30 -1.28 0.08 0.00 -1.04 0.00 0.00 56.93 54.99 2ajr s PHE 313 Cb 0.16 -0.50 -0.05 0.00 -1.21 0.00 0.00 43.02 41.42 2ajr s PHE 313 CO 0.20 -0.56 -0.15 0.95 -1.34 0.00 0.00 175.22 174.33 2ajr s THR 314 N -4.08 1.69 -0.11 -4.49 -4.23 -0.83 -4.90 115.64 98.69 2ajr s THR 314 Ca 0.29 -2.15 0.01 0.00 -1.18 0.00 0.00 61.69 58.66 2ajr s THR 314 Cb 0.07 -1.99 0.02 0.00 1.34 0.00 0.00 72.50 71.94 2ajr s THR 314 CO 0.05 -0.57 -0.13 -0.69 -0.54 0.00 0.00 174.62 172.74 2ajr s VAL 315 N -2.86 1.35 0.02 2.29 1.01 -1.26 -1.67 120.40 119.28 2ajr s VAL 315 Ca 0.21 -0.54 0.02 0.00 0.00 0.00 0.00 61.98 61.67 2ajr s VAL 315 Cb -0.01 -1.26 -0.04 0.00 0.00 0.00 0.00 36.38 35.07 2ajr s VAL 315 CO 0.06 0.41 0.01 -1.61 0.00 0.00 0.00 175.10 173.97 2ajr s GLU 316 N 1.16 2.75 -0.19 2.72 2.02 -0.29 -4.97 118.70 121.89 2ajr s GLU 316 Ca -0.04 -0.66 -0.20 0.00 0.02 0.00 0.00 54.97 54.09 2ajr s GLU 316 Cb -0.14 -2.65 -0.03 0.00 0.10 0.00 0.00 34.13 31.41 2ajr s GLU 316 CO -0.03 0.60 0.60 0.50 0.02 0.00 0.00 175.26 176.95 2ajr s ARG 317 N -1.75 4.22 -0.18 1.61 3.52 -1.26 -0.87 118.95 124.23 2ajr s ARG 317 Ca 0.21 0.56 -0.17 0.00 -0.13 0.00 0.00 55.73 56.21 2ajr s ARG 317 Cb -0.12 -3.56 -0.13 0.00 -1.56 0.00 0.00 34.95 29.58 2ajr s ARG 317 CO 0.13 -0.19 0.08 0.28 -0.81 0.00 0.00 175.30 174.78 2ajr h VAL 318 N 5.14 0.58 0.00 7.11 2.07 -0.54 -3.48 116.25 127.12 2ajr h VAL 318 Ca -0.33 -1.73 0.00 0.00 0.82 0.00 0.00 66.70 65.46 2ajr h VAL 318 Cb 1.15 1.39 0.00 0.00 -1.52 0.00 0.00 31.29 32.31 2ajr h VAL 318 CO 0.76 0.20 0.00 0.29 0.02 0.00 0.00 177.57 178.84