#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ja7 n THR 3 N 0.00 0.00 -1.25 12.58 -1.04 -1.26 -4.81 114.28 118.50 2ja7 n THR 3 Ca 0.00 0.00 -0.30 0.00 -2.04 0.00 0.00 64.05 61.71 2ja7 n THR 3 Cb 0.00 0.00 0.24 0.00 -1.82 0.00 0.00 70.33 68.75 2ja7 n THR 3 CO 0.00 0.00 0.00 0.72 -0.64 0.00 0.00 175.07 175.15 2ja7 s PHE 4 N -0.14 0.34 0.11 -1.42 -0.12 -1.26 -5.10 117.98 110.39 2ja7 s PHE 4 Ca 0.00 0.34 0.02 0.00 -0.05 0.00 0.00 56.93 57.24 2ja7 s PHE 4 Cb 0.00 -3.67 -0.04 0.00 -0.63 0.00 0.00 43.02 38.68 2ja7 s PHE 4 CO 0.00 -3.84 -0.06 0.50 -0.05 0.00 0.00 175.22 171.77 2ja7 s ARG 5 N -5.62 0.86 0.27 1.99 3.52 -1.26 -5.16 118.95 113.55 2ja7 s ARG 5 Ca 0.73 -1.36 0.09 0.00 -0.13 0.00 0.00 55.73 55.07 2ja7 s ARG 5 Cb -0.06 -0.20 -0.04 0.00 -1.56 0.00 0.00 34.95 33.08 2ja7 s ARG 5 CO 0.55 -0.03 0.03 -0.06 -0.81 0.00 0.00 175.30 174.98 2ja7 s PHE 6 N -3.64 2.75 0.93 5.12 2.99 -1.26 -3.89 117.98 120.99 2ja7 s PHE 6 Ca 0.13 -0.22 -0.13 0.00 0.00 0.00 0.00 56.93 56.71 2ja7 s PHE 6 Cb 0.05 -1.26 0.20 0.00 0.00 0.00 0.00 43.02 42.02 2ja7 s PHE 6 CO -0.04 0.59 1.27 0.00 -0.00 0.00 0.00 175.22 177.04 2ja7 n ARG 8 N -3.62 1.31 0.00 0.00 1.74 -1.26 -3.91 116.66 110.92 2ja7 n ARG 8 Ca 0.17 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.25 2ja7 n ARG 8 Cb 0.60 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 32.04 2ja7 n ARG 8 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 2ja7 n ASP 9 N -1.69 0.00 -2.30 0.55 5.75 -1.26 -2.63 116.55 114.97 2ja7 n ASP 9 Ca 0.00 0.00 -0.34 0.00 -0.01 0.00 0.00 54.79 54.44 2ja7 n ASP 9 Cb 0.00 0.00 0.08 0.00 -1.03 0.00 0.00 41.12 40.17 2ja7 n ASP 9 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2ja7 n ASN 11 N -0.84 0.00 0.00 0.00 5.15 -1.08 -4.86 115.26 113.63 2ja7 n ASN 11 Ca 0.61 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.59 2ja7 n ASN 11 Cb 0.68 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.93 2ja7 n ASN 11 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 2ja7 n ASN 12 N 0.00 0.00 -4.73 1.20 5.03 -1.26 -4.93 115.26 110.57 2ja7 n ASN 12 Ca 0.00 0.00 -0.24 0.00 0.87 0.00 0.00 54.58 55.21 2ja7 n ASN 12 Cb 0.00 0.00 -0.06 0.00 -1.02 0.00 0.00 39.78 38.70 2ja7 n ASN 12 CO 0.00 0.00 0.00 -0.32 -1.83 0.00 0.00 177.26 175.11 2ja7 s MET 13 N 4.62 2.63 -0.20 3.52 -2.45 -1.26 -4.31 119.30 121.85 2ja7 s MET 13 Ca 0.00 -1.11 0.01 0.00 -1.25 0.00 0.00 55.69 53.34 2ja7 s MET 13 Cb 0.00 -2.43 0.03 0.00 1.25 0.00 0.00 34.83 33.68 2ja7 s MET 13 CO 0.00 0.43 -0.16 -0.51 1.05 0.00 0.00 175.02 175.82 2ja7 s LEU 14 N -3.39 2.43 -0.01 4.11 1.43 -1.25 -4.56 118.68 117.44 2ja7 s LEU 14 Ca 0.31 -0.85 -0.09 0.00 -1.03 0.00 0.00 54.13 52.47 2ja7 s LEU 14 Cb -0.08 -1.44 -0.05 0.00 0.03 0.00 0.00 46.19 44.64 2ja7 s LEU 14 CO 0.22 -0.07 0.30 -0.31 0.23 0.00 0.00 176.35 176.72 2ja7 s TYR 15 N 1.27 3.62 0.33 0.29 1.51 -0.93 -4.69 117.35 118.76 2ja7 s TYR 15 Ca 0.01 0.70 -0.10 0.00 -1.01 0.00 0.00 57.07 56.67 2ja7 s TYR 15 Cb -0.15 -2.08 -0.07 0.00 -0.11 0.00 0.00 41.96 39.55 2ja7 s TYR 15 CO -0.10 0.63 0.69 -1.25 -1.11 0.00 0.00 175.55 174.40 2ja7 s PRO 16 N -1.47 3.81 0.21 -1.71 0.04 -1.26 -0.63 135.00 133.99 2ja7 s PRO 16 Ca 0.25 0.40 -0.10 0.00 0.04 0.00 0.00 61.00 61.59 2ja7 s PRO 16 Cb -0.14 -2.49 -0.01 0.00 0.04 0.00 0.00 34.50 31.90 2ja7 s PRO 16 CO 0.13 0.11 0.36 1.03 0.04 0.00 0.00 177.00 178.68 2ja7 s ARG 17 N -3.41 1.37 -0.08 4.56 0.52 -0.04 -4.97 118.95 116.89 2ja7 s ARG 17 Ca 0.50 -1.29 0.02 0.00 -0.52 0.00 0.00 55.73 54.44 2ja7 s ARG 17 Cb -0.10 0.41 -0.02 0.00 0.52 0.00 0.00 34.95 35.75 2ja7 s ARG 17 CO 0.26 -0.53 -0.15 -2.00 0.02 0.00 0.00 175.30 172.90 2ja7 s GLU 18 N -4.03 2.87 -0.65 3.54 2.12 -1.26 -2.16 118.70 119.12 2ja7 s GLU 18 Ca 0.24 -0.71 -0.23 0.00 0.36 0.00 0.00 54.97 54.62 2ja7 s GLU 18 Cb 0.02 -2.46 0.06 0.00 0.26 0.00 0.00 34.13 32.01 2ja7 s GLU 18 CO 0.07 0.43 1.00 0.34 -0.54 0.00 0.00 175.26 176.56 2ja7 s ASP 19 N -0.24 6.19 0.05 -1.70 -1.08 -0.41 -4.91 116.67 114.58 2ja7 s ASP 19 Ca 0.01 -0.83 -0.32 0.00 -0.52 0.00 0.00 52.55 50.88 2ja7 s ASP 19 Cb -0.13 -2.44 -0.18 0.00 -1.46 0.00 0.00 42.92 38.71 2ja7 s ASP 19 CO 0.03 -1.47 1.46 0.11 0.52 0.00 0.00 175.17 175.82 2ja7 h LYS 20 N 9.59 -0.97 0.00 4.34 1.57 -1.97 -1.30 116.57 127.83 2ja7 h LYS 20 Ca -0.28 0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.56 2ja7 h LYS 20 Cb 1.07 0.22 -0.00 0.00 0.08 0.00 0.00 32.23 33.60 2ja7 h LYS 20 CO 1.18 -0.63 -0.03 1.49 -0.57 0.00 0.00 179.45 180.90 2ja7 h GLU 21 N -1.11 0.00 -0.01 3.15 4.81 -1.99 -3.14 114.58 116.29 2ja7 h GLU 21 Ca -0.10 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.13 2ja7 h GLU 21 Cb 0.79 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.17 2ja7 h GLU 21 CO 0.17 0.03 -0.05 0.09 -0.73 0.00 0.00 179.01 178.52 2ja7 n ASN 22 N -4.26 1.83 -2.84 1.04 3.02 -1.22 -5.05 115.26 107.77 2ja7 n ASN 22 Ca -0.03 -1.41 -0.00 0.00 -0.03 0.00 0.00 54.58 53.10 2ja7 n ASN 22 Cb 0.11 0.10 0.00 0.00 -0.61 0.00 0.00 39.78 39.38 2ja7 n ASN 22 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2ja7 n ASN 23 N 0.47 -7.02 -3.60 6.41 4.13 -0.50 -5.06 115.26 110.10 2ja7 n ASN 23 Ca 0.06 -0.04 -0.07 0.00 1.68 0.00 0.00 54.58 56.21 2ja7 n ASN 23 Cb 0.28 -4.73 -0.02 0.00 -1.54 0.00 0.00 39.78 33.77 2ja7 n ASN 23 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2ja7 s ARG 24 N -2.98 1.08 -0.13 3.52 1.70 -1.16 -5.01 118.95 115.96 2ja7 s ARG 24 Ca 0.01 -0.49 -0.08 0.00 -0.47 0.00 0.00 55.73 54.69 2ja7 s ARG 24 Cb -0.00 0.44 -0.04 0.00 -0.57 0.00 0.00 34.95 34.77 2ja7 s ARG 24 CO 0.65 -0.48 0.16 -1.17 -1.08 0.00 0.00 175.30 173.37 2ja7 s LEU 25 N -2.70 4.35 -0.04 -1.89 2.96 -1.26 -1.29 118.68 118.80 2ja7 s LEU 25 Ca 0.07 0.44 -0.00 0.00 -0.22 0.00 0.00 54.13 54.42 2ja7 s LEU 25 Cb -0.01 -2.11 0.03 0.00 0.50 0.00 0.00 46.19 44.59 2ja7 s LEU 25 CO -0.05 0.34 -0.00 -0.76 -1.32 0.00 0.00 176.35 174.56 2ja7 s LEU 26 N -0.66 0.93 0.00 -0.68 1.43 -0.92 -0.06 118.68 118.72 2ja7 s LEU 26 Ca 0.14 -0.05 -0.07 0.00 -1.03 0.00 0.00 54.13 53.12 2ja7 s LEU 26 Cb -0.12 -0.31 0.12 0.00 0.03 0.00 0.00 46.19 45.92 2ja7 s LEU 26 CO 0.03 -0.13 0.77 0.49 0.23 0.00 0.00 176.35 177.74 2ja7 n PHE 27 N 4.52 -3.69 -3.82 0.29 0.99 -0.39 -0.86 117.46 114.50 2ja7 n PHE 27 Ca -0.19 -0.87 0.00 0.00 -0.00 0.00 0.00 57.45 56.39 2ja7 n PHE 27 Cb 0.50 -0.58 0.00 0.00 -1.00 0.00 0.00 39.48 38.40 2ja7 n PHE 27 CO 0.00 0.00 0.00 -0.85 -0.00 0.00 0.00 176.76 175.91 2ja7 n GLU 28 N -2.57 0.00 -4.22 -1.08 0.28 0.20 -2.91 120.64 110.35 2ja7 n GLU 28 Ca 0.10 -0.01 -0.19 0.00 -0.16 0.00 0.00 57.16 56.90 2ja7 n GLU 28 Cb 0.37 0.01 -0.12 0.00 1.43 0.00 0.00 31.44 33.13 2ja7 n GLU 28 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2ja7 n ARG 30 N 0.96 2.76 0.03 0.00 1.74 -1.26 -4.59 116.66 116.29 2ja7 n ARG 30 Ca -0.19 -3.79 0.00 0.00 -0.77 0.00 0.00 57.85 53.10 2ja7 n ARG 30 Cb 0.55 -1.96 0.00 0.00 -1.02 0.00 0.00 32.46 30.03 2ja7 n ARG 30 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 2ja7 n THR 31 N -0.80 0.09 0.00 0.55 -1.04 -1.26 -5.08 114.28 106.75 2ja7 n THR 31 Ca 0.33 0.03 0.00 0.00 -2.04 0.00 0.00 64.05 62.37 2ja7 n THR 31 Cb 0.88 -0.84 0.00 0.00 -1.82 0.00 0.00 70.33 68.54 2ja7 n THR 31 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2ja7 n SER 33 N 0.00 0.00 -3.56 0.00 7.64 -1.26 -4.90 113.62 111.53 2ja7 n SER 33 Ca 0.00 -0.68 -0.32 0.00 1.01 0.00 0.00 58.87 58.88 2ja7 n SER 33 Cb 0.00 0.00 0.03 0.00 -1.01 0.00 0.00 64.21 63.23 2ja7 n SER 33 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2ja7 n TYR 34 N 0.00 -4.11 -3.64 1.43 -0.00 -1.26 -4.74 117.16 104.83 2ja7 n TYR 34 Ca 0.00 0.07 -0.06 0.00 -0.00 0.00 0.00 57.90 57.91 2ja7 n TYR 34 Cb 0.17 -1.31 -0.07 0.00 -0.00 0.00 0.00 39.34 38.13 2ja7 n TYR 34 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.86 176.94 2ja7 s VAL 35 N -1.76 0.00 0.05 2.97 1.01 -1.26 -3.23 120.40 118.18 2ja7 s VAL 35 Ca 0.39 0.00 0.05 0.00 0.00 0.00 0.00 61.98 62.42 2ja7 s VAL 35 Cb -0.22 -1.00 -0.02 0.00 0.00 0.00 0.00 36.38 35.13 2ja7 s VAL 35 CO 0.69 0.00 -0.15 -1.83 0.00 0.00 0.00 175.10 173.81 2ja7 s GLU 36 N 1.53 0.98 1.00 2.72 -1.05 -1.15 -4.97 118.70 117.76 2ja7 s GLU 36 Ca -0.09 -0.86 -0.12 0.00 -0.15 0.00 0.00 54.97 53.75 2ja7 s GLU 36 Cb -0.05 -1.02 0.13 0.00 -0.44 0.00 0.00 34.13 32.75 2ja7 s GLU 36 CO -0.18 0.25 0.74 -0.85 0.95 0.00 0.00 175.26 176.16 2ja7 n GLU 37 N 1.69 -0.89 -2.09 -4.83 0.28 -1.26 -1.26 120.64 112.29 2ja7 n GLU 37 Ca -0.19 -0.21 -0.42 0.00 -0.16 0.00 0.00 57.16 56.18 2ja7 n GLU 37 Cb 0.54 -2.09 -0.03 0.00 1.43 0.00 0.00 31.44 31.30 2ja7 n GLU 37 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2ja7 s ALA 38 N -2.47 3.63 0.09 -1.84 0.00 0.92 -4.59 121.76 117.51 2ja7 s ALA 38 Ca 0.63 1.07 -0.19 0.00 0.00 0.00 0.00 51.96 53.46 2ja7 s ALA 38 Cb -0.21 -3.63 -0.07 0.00 0.00 0.00 0.00 23.12 19.21 2ja7 s ALA 38 CO 0.63 -0.93 1.60 0.78 0.00 0.00 0.00 175.76 177.84 2ja7 h GLY 39 N 8.10 0.42 -2.96 0.00 0.00 -1.90 -3.46 103.07 103.28 2ja7 h GLY 39 Ca -0.41 -0.25 -0.03 0.00 0.00 0.00 0.00 47.33 46.64 2ja7 h GLY 39 CO 0.91 0.24 0.04 -0.45 0.00 0.00 0.00 176.54 177.27 2ja7 s SER 40 N -5.75 -0.35 0.00 0.19 0.15 -1.26 -5.05 113.70 101.63 2ja7 s SER 40 Ca -0.14 -0.25 0.21 0.00 0.70 0.00 0.00 55.95 56.48 2ja7 s SER 40 Cb 0.08 0.54 1.03 0.00 -1.71 0.00 0.00 66.02 65.96 2ja7 s SER 40 CO 0.73 -0.93 1.69 -0.81 1.20 0.00 0.00 173.24 175.11 2ja7 n PRO 41 N -0.30 0.21 -2.61 5.44 -0.04 -1.26 -4.66 135.00 131.78 2ja7 n PRO 41 Ca -0.15 0.10 -0.41 0.00 -0.04 0.00 0.00 63.50 62.99 2ja7 n PRO 41 Cb 0.64 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.57 2ja7 n PRO 41 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 2ja7 s LEU 42 N -2.70 3.45 -0.02 1.53 2.96 -1.26 -4.88 118.68 117.76 2ja7 s LEU 42 Ca 0.17 -0.66 -0.09 0.00 -0.22 0.00 0.00 54.13 53.33 2ja7 s LEU 42 Cb 0.14 -2.53 -0.30 0.00 0.50 0.00 0.00 46.19 44.00 2ja7 s LEU 42 CO 0.35 -1.73 0.77 0.58 -1.32 0.00 0.00 176.35 175.00 2ja7 h VAL 43 N 6.08 1.05 -3.05 1.68 2.07 -1.98 -3.47 116.25 118.62 2ja7 h VAL 43 Ca -0.23 -2.63 -0.15 0.00 0.82 0.00 0.00 66.70 64.51 2ja7 h VAL 43 Cb 1.05 2.79 -0.25 0.00 -1.52 0.00 0.00 31.29 33.37 2ja7 h VAL 43 CO 1.27 0.84 -0.37 -0.47 0.02 0.00 0.00 177.57 178.86 2ja7 s TYR 44 N -2.59 -0.29 0.03 1.57 5.04 -1.26 -5.06 117.35 114.79 2ja7 s TYR 44 Ca -0.13 0.69 0.03 0.00 -2.44 0.00 0.00 57.07 55.23 2ja7 s TYR 44 Cb 0.06 0.10 -0.02 0.00 0.35 0.00 0.00 41.96 42.45 2ja7 s TYR 44 CO 0.87 -0.18 -0.10 0.50 -1.34 0.00 0.00 175.55 175.30 2ja7 s ARG 45 N -0.04 0.65 -0.12 4.97 3.52 -1.26 -5.07 118.95 121.60 2ja7 s ARG 45 Ca -0.02 -0.66 -0.07 0.00 -0.13 0.00 0.00 55.73 54.85 2ja7 s ARG 45 Cb -0.03 -0.55 -0.05 0.00 -1.56 0.00 0.00 34.95 32.76 2ja7 s ARG 45 CO 0.01 0.13 -0.17 1.58 -0.81 0.00 0.00 175.30 176.03 2ja7 n HIS 46 N 1.87 0.00 -2.43 5.12 -0.00 -1.26 -5.12 115.22 113.41 2ja7 n HIS 46 Ca -0.19 0.00 -0.02 0.00 -0.00 0.00 0.00 57.72 57.51 2ja7 n HIS 46 Cb 0.55 -0.45 -0.01 0.00 -0.00 0.00 0.00 29.99 30.08 2ja7 n HIS 46 CO 0.00 0.00 0.00 -1.91 -0.00 0.00 0.00 176.34 174.43 2ja7 n GLU 47 N -3.63 -4.53 -0.08 1.57 2.13 -1.26 -5.01 120.64 109.83 2ja7 n GLU 47 Ca -0.24 3.32 -0.10 0.00 0.66 0.00 0.00 57.16 60.80 2ja7 n GLU 47 Cb 0.64 -4.37 -0.04 0.00 0.27 0.00 0.00 31.44 27.94 2ja7 n GLU 47 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 2ja7 n LEU 48 N 1.86 1.85 -4.48 4.31 4.77 -1.26 -4.66 117.00 119.39 2ja7 n LEU 48 Ca -0.12 0.52 -0.43 0.00 -0.03 0.00 0.00 56.01 55.96 2ja7 n LEU 48 Cb 0.18 -0.86 -0.03 0.00 -2.33 0.00 0.00 43.42 40.38 2ja7 n LEU 48 CO 0.11 -0.24 1.04 -0.63 -1.33 0.00 0.00 177.39 176.35 2ja7 s ILE 49 N -2.41 4.45 0.57 -0.08 1.01 -1.26 -5.00 121.20 118.47 2ja7 s ILE 49 Ca -0.22 -1.10 -0.15 0.00 0.00 0.00 0.00 60.65 59.19 2ja7 s ILE 49 Cb 0.04 -4.82 -0.06 0.00 0.01 0.00 0.00 42.46 37.63 2ja7 s ILE 49 CO 0.34 -1.60 1.01 -0.89 0.00 0.00 0.00 174.94 173.81 2ja7 s THR 50 N 3.54 4.43 0.00 2.92 2.01 -1.26 -4.98 115.64 122.30 2ja7 s THR 50 Ca 0.33 1.04 0.00 0.00 0.31 0.00 0.00 61.69 63.37 2ja7 s THR 50 Cb -0.06 -3.68 0.00 0.00 0.01 0.00 0.00 72.50 68.76 2ja7 s THR 50 CO -0.05 -0.79 0.12 0.59 -0.69 0.00 0.00 174.62 173.80 2ja7 n ASN 51 N -2.06 0.24 -4.62 3.53 4.13 -1.26 -5.05 115.26 110.17 2ja7 n ASN 51 Ca 0.07 -0.87 -0.40 0.00 1.68 0.00 0.00 54.58 55.06 2ja7 n ASN 51 Cb 0.54 0.04 -0.07 0.00 -1.54 0.00 0.00 39.78 38.75 2ja7 n ASN 51 CO 0.00 0.00 0.00 0.27 0.28 0.00 0.00 177.26 177.81 2ja7 s ILE 52 N -0.04 5.03 0.00 2.41 -4.36 -1.26 -3.59 121.20 119.38 2ja7 s ILE 52 Ca 0.00 1.01 0.00 0.00 -0.26 0.00 0.00 60.65 61.40 2ja7 s ILE 52 Cb 0.00 -3.88 0.00 0.00 1.25 0.00 0.00 42.46 39.83 2ja7 s ILE 52 CO 0.00 0.06 0.00 0.61 0.24 0.00 0.00 174.94 175.85 2ja7 n GLY 53 N 4.26 1.03 0.31 6.27 0.00 -1.26 -4.95 105.19 110.86 2ja7 n GLY 53 Ca -0.02 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.15 2ja7 n GLY 53 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2ja7 h GLU 54 N 0.00 0.00 -1.81 1.61 5.08 -1.92 -2.96 114.58 114.57 2ja7 h GLU 54 Ca 0.00 0.00 -0.48 0.00 -1.00 0.00 0.00 59.36 57.88 2ja7 h GLU 54 Cb 0.00 0.00 -0.37 0.00 0.50 0.00 0.00 28.75 28.88 2ja7 h GLU 54 CO 0.00 0.00 -1.11 2.41 -1.00 0.00 0.00 179.01 179.31 2ja7 n THR 55 N -3.85 -0.29 -2.18 1.13 -1.04 -1.26 -3.70 114.28 103.09 2ja7 n THR 55 Ca -0.01 -4.15 -0.34 0.00 -2.04 0.00 0.00 64.05 57.52 2ja7 n THR 55 Cb 0.19 -0.54 0.00 0.00 -1.82 0.00 0.00 70.33 68.16 2ja7 n THR 55 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2ja7 s ALA 56 N -1.83 2.73 0.00 2.41 0.00 -1.12 -4.61 121.76 119.33 2ja7 s ALA 56 Ca 0.37 0.55 0.00 0.00 0.00 0.00 0.00 51.96 52.89 2ja7 s ALA 56 Cb 0.30 -3.27 0.00 0.00 0.00 0.00 0.00 23.12 20.14 2ja7 s ALA 56 CO -0.09 -0.74 0.00 0.41 0.00 0.00 0.00 175.76 175.34 2ja7 n GLY 57 N -0.50 0.00 2.57 0.00 0.00 -1.26 -4.91 105.19 101.08 2ja7 n GLY 57 Ca 0.10 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.92 2ja7 n GLY 57 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2ja7 n VAL 58 N 1.55 1.56 -1.30 1.61 0.31 -1.26 -5.07 118.33 115.74 2ja7 n VAL 58 Ca 0.00 -4.53 -0.38 0.00 -0.01 0.00 0.00 64.34 59.42 2ja7 n VAL 58 Cb 0.00 -0.55 0.02 0.00 -0.91 0.00 0.00 33.84 32.40 2ja7 n VAL 58 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 2ja7 n VAL 59 N -0.13 0.79 0.34 2.52 0.31 -1.26 -4.72 118.33 116.17 2ja7 n VAL 59 Ca 0.26 -0.49 0.02 0.00 -0.01 0.00 0.00 64.34 64.12 2ja7 n VAL 59 Cb 0.64 -0.25 0.15 0.00 -0.91 0.00 0.00 33.84 33.46 2ja7 n VAL 59 CO 0.00 0.00 0.00 1.67 -1.32 0.00 0.00 176.83 177.18 2ja7 n GLN 60 N 0.94 0.17 0.00 5.55 -0.06 -1.26 -0.84 117.38 121.89 2ja7 n GLN 60 Ca 0.09 0.00 0.09 0.00 -2.00 0.00 0.00 57.00 55.18 2ja7 n GLN 60 Cb 0.48 -1.46 -0.03 0.00 -4.06 0.00 0.00 30.24 25.17 2ja7 n GLN 60 CO 0.00 0.00 0.00 -0.25 -0.20 0.00 0.00 177.06 176.61 2ja7 n ASP 61 N -0.96 1.58 0.00 1.69 8.00 -1.26 -4.40 116.55 121.20 2ja7 n ASP 61 Ca 0.04 -1.29 0.00 0.00 0.71 0.00 0.00 54.79 54.25 2ja7 n ASP 61 Cb 0.02 0.62 0.00 0.00 -0.02 0.00 0.00 41.12 41.73 2ja7 n ASP 61 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2ja7 n ILE 62 N -0.43 0.01 0.01 0.53 3.06 -0.02 0.14 119.36 122.67 2ja7 n ILE 62 Ca 0.07 0.00 0.11 0.00 -2.50 0.00 0.00 62.75 60.43 2ja7 n ILE 62 Cb 0.37 -1.00 -0.16 0.00 0.54 0.00 0.00 39.64 39.39 2ja7 n ILE 62 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 2ja7 n GLY 63 N -0.93 -1.03 0.29 4.50 0.00 -1.26 -4.16 105.19 102.59 2ja7 n GLY 63 Ca 0.00 -0.50 0.15 0.00 0.00 0.00 0.00 46.02 45.67 2ja7 n GLY 63 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2ja7 n SER 64 N -2.28 0.90 -4.55 1.61 3.41 0.38 -4.78 113.62 108.32 2ja7 n SER 64 Ca -0.04 -1.26 -0.43 0.00 -0.26 0.00 0.00 58.87 56.89 2ja7 n SER 64 Cb 0.57 -0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.46 2ja7 n SER 64 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2ja7 s ASP 65 N -2.04 6.43 0.37 4.04 -1.08 -1.22 -4.94 116.67 118.24 2ja7 s ASP 65 Ca 0.41 -0.03 0.06 0.00 -0.52 0.00 0.00 52.55 52.46 2ja7 s ASP 65 Cb 0.21 -2.38 0.73 0.00 -1.46 0.00 0.00 42.92 40.02 2ja7 s ASP 65 CO 0.36 -0.87 1.97 1.55 0.52 0.00 0.00 175.17 178.70 2ja7 h PRO 66 N 8.88 0.54 0.00 4.34 0.13 -1.94 -3.04 132.00 140.91 2ja7 h PRO 66 Ca -0.25 -0.07 0.00 0.00 -0.87 0.00 0.00 66.00 64.81 2ja7 h PRO 66 Cb 1.09 -0.10 0.00 0.00 0.13 0.00 0.00 31.00 32.11 2ja7 h PRO 66 CO 0.95 0.45 0.00 1.79 -0.23 0.00 0.00 178.00 180.96 2ja7 h THR 67 N 0.54 0.00 -3.72 1.56 1.35 -1.99 -3.43 112.91 107.21 2ja7 h THR 67 Ca 0.13 0.00 -0.49 0.00 -0.55 0.00 0.00 66.41 65.50 2ja7 h THR 67 Cb 0.12 0.64 0.04 0.00 -1.73 0.00 0.00 68.15 67.22 2ja7 h THR 67 CO -0.01 0.00 0.17 -0.76 -0.25 0.00 0.00 175.52 174.67 2ja7 s LEU 68 N -5.02 3.51 0.34 3.87 1.43 -1.15 -5.09 118.68 116.58 2ja7 s LEU 68 Ca -0.03 0.99 -0.08 0.00 -1.03 0.00 0.00 54.13 53.98 2ja7 s LEU 68 Cb 0.08 -3.95 -0.06 0.00 0.03 0.00 0.00 46.19 42.30 2ja7 s LEU 68 CO 0.26 -0.69 0.67 -2.16 0.23 0.00 0.00 176.35 174.66 2ja7 s PRO 69 N -4.85 3.72 0.03 1.29 0.04 -1.26 -5.03 135.00 128.93 2ja7 s PRO 69 Ca 0.50 0.26 0.09 0.00 0.04 0.00 0.00 61.00 61.89 2ja7 s PRO 69 Cb -0.10 -2.51 -0.03 0.00 0.04 0.00 0.00 34.50 31.90 2ja7 s PRO 69 CO 0.47 0.09 -0.26 1.03 0.04 0.00 0.00 177.00 178.37 2ja7 s ARG 70 N -3.65 1.89 0.17 4.56 1.81 -1.26 -3.27 118.95 119.19 2ja7 s ARG 70 Ca 0.48 -1.06 0.07 0.00 -1.72 0.00 0.00 55.73 53.50 2ja7 s ARG 70 Cb -0.10 -2.00 -0.04 0.00 -0.45 0.00 0.00 34.95 32.35 2ja7 s ARG 70 CO 0.30 0.53 -0.14 -1.54 -0.68 0.00 0.00 175.30 173.76 2ja7 s SER 71 N -1.09 2.34 -0.28 0.23 1.04 -0.83 -5.00 113.70 110.11 2ja7 s SER 71 Ca 0.11 -0.96 0.11 0.00 0.48 0.00 0.00 55.95 55.70 2ja7 s SER 71 Cb -0.10 -0.10 0.65 0.00 0.10 0.00 0.00 66.02 66.56 2ja7 s SER 71 CO 0.01 -0.18 1.65 -0.90 0.98 0.00 0.00 173.24 174.81 2ja7 n ASP 72 N -0.09 4.13 -4.08 7.02 5.75 -1.26 -3.11 116.55 124.91 2ja7 n ASP 72 Ca -0.10 -3.29 -0.30 0.00 -0.01 0.00 0.00 54.79 51.09 2ja7 n ASP 72 Cb 0.59 -0.68 0.19 0.00 -1.03 0.00 0.00 41.12 40.20 2ja7 n ASP 72 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 2ja7 s ARG 73 N -3.01 0.51 -0.07 0.11 0.52 -1.26 -4.86 118.95 110.89 2ja7 s ARG 73 Ca 0.50 -0.43 0.04 0.00 -0.52 0.00 0.00 55.73 55.32 2ja7 s ARG 73 Cb 0.41 -1.83 -0.02 0.00 0.52 0.00 0.00 34.95 34.03 2ja7 s ARG 73 CO 0.10 -2.50 -0.19 -1.83 0.02 0.00 0.00 175.30 170.90 2ja7 s GLU 74 N -5.89 2.75 0.81 3.54 -1.05 -1.26 -4.09 118.70 113.50 2ja7 s GLU 74 Ca 0.75 -0.79 -0.11 0.00 -0.15 0.00 0.00 54.97 54.67 2ja7 s GLU 74 Cb -0.04 -2.34 0.08 0.00 -0.44 0.00 0.00 34.13 31.39 2ja7 s GLU 74 CO 0.53 0.41 1.11 0.00 0.95 0.00 0.00 175.26 178.26 2ja7 h PRO 76 N -1.26 0.00 0.00 0.00 0.11 -1.99 -3.28 132.00 125.57 2ja7 h PRO 76 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 2ja7 h PRO 76 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 2ja7 h PRO 76 CO 0.49 0.00 0.00 1.63 -0.21 0.00 0.00 178.00 179.91 2ja7 n LYS 77 N -4.32 0.00 0.23 1.05 5.02 -1.26 -4.82 118.16 114.06 2ja7 n LYS 77 Ca 0.01 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.31 2ja7 n LYS 77 Cb 0.27 -0.02 0.02 0.00 -0.02 0.00 0.00 35.03 35.28 2ja7 n LYS 77 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2ja7 n HIS 79 N -2.07 -0.33 -1.55 0.00 8.25 -1.24 -4.90 115.22 113.38 2ja7 n HIS 79 Ca -0.00 0.00 -0.29 0.00 -0.26 0.00 0.00 57.72 57.17 2ja7 n HIS 79 Cb 0.83 -0.89 0.13 0.00 1.12 0.00 0.00 29.99 31.19 2ja7 n HIS 79 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 2ja7 s SER 80 N -0.58 3.58 -0.33 0.41 0.01 -1.26 -4.70 113.70 110.84 2ja7 s SER 80 Ca 0.00 0.98 0.08 0.00 1.31 0.00 0.00 55.95 58.32 2ja7 s SER 80 Cb 0.00 -1.56 0.45 0.00 0.21 0.00 0.00 66.02 65.13 2ja7 s SER 80 CO 0.00 -2.51 1.15 0.54 0.41 0.00 0.00 173.24 172.84 2ja7 n ARG 81 N -3.74 3.32 -3.63 12.44 1.74 -1.26 -3.65 116.66 121.89 2ja7 n ARG 81 Ca 0.07 -4.17 -0.29 0.00 -0.77 0.00 0.00 57.85 52.68 2ja7 n ARG 81 Cb 0.59 -2.18 -0.14 0.00 -1.02 0.00 0.00 32.46 29.71 2ja7 n ARG 81 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 2ja7 s GLU 82 N -3.58 0.59 0.09 5.56 2.02 -1.26 -4.65 118.70 117.47 2ja7 s GLU 82 Ca 0.47 -1.06 0.09 0.00 0.02 0.00 0.00 54.97 54.49 2ja7 s GLU 82 Cb 0.40 -1.66 -0.03 0.00 0.10 0.00 0.00 34.13 32.94 2ja7 s GLU 82 CO -0.03 -1.06 -0.23 -0.80 0.02 0.00 0.00 175.26 173.16 2ja7 s ASN 83 N 1.52 2.85 -0.30 -0.19 0.01 -1.18 -2.18 114.94 115.47 2ja7 s ASN 83 Ca 0.12 -0.66 -0.02 0.00 -0.71 0.00 0.00 52.86 51.58 2ja7 s ASN 83 Cb -0.19 -0.20 0.10 0.00 0.41 0.00 0.00 41.25 41.38 2ja7 s ASN 83 CO -0.21 0.14 0.11 0.54 -1.51 0.00 0.00 177.10 176.17 2ja7 s VAL 84 N -1.02 0.46 0.52 1.60 0.11 -1.18 -1.97 120.40 118.92 2ja7 s VAL 84 Ca 0.10 -1.13 0.04 0.00 -2.93 0.00 0.00 61.98 58.06 2ja7 s VAL 84 Cb -0.10 -1.37 0.04 0.00 -1.53 0.00 0.00 36.38 33.42 2ja7 s VAL 84 CO 0.04 -0.70 0.72 0.72 -3.33 0.00 0.00 175.10 172.55 2ja7 s PHE 85 N 1.81 2.58 0.00 1.54 -0.00 -1.20 -3.63 117.98 119.08 2ja7 s PHE 85 Ca 0.10 -0.25 0.00 0.00 -0.00 0.00 0.00 56.93 56.77 2ja7 s PHE 85 Cb -0.17 -2.58 0.00 0.00 -0.00 0.00 0.00 43.02 40.27 2ja7 s PHE 85 CO -0.30 -0.81 0.00 1.97 -0.00 0.00 0.00 175.22 176.08 2ja7 n PHE 86 N -2.20 -0.34 -4.45 3.49 1.16 -1.17 -4.32 117.46 109.64 2ja7 n PHE 86 Ca 0.09 0.00 -0.22 0.00 -1.87 0.00 0.00 57.45 55.45 2ja7 n PHE 86 Cb 0.60 0.00 -0.10 0.00 -1.61 0.00 0.00 39.48 38.36 2ja7 n PHE 86 CO 0.00 0.00 0.00 -0.65 -1.87 0.00 0.00 176.76 174.24 2ja7 s GLN 87 N -0.07 1.60 -0.36 3.97 -0.21 -1.26 -2.88 119.66 120.45 2ja7 s GLN 87 Ca 0.00 -1.80 -0.42 0.00 0.02 0.00 0.00 55.36 53.16 2ja7 s GLN 87 Cb 0.00 -1.33 -0.17 0.00 1.00 0.00 0.00 33.01 32.51 2ja7 s GLN 87 CO 0.00 0.10 1.74 0.45 -2.12 0.00 0.00 175.29 175.47 2ja7 n SER 88 N -0.61 1.96 0.00 5.90 2.88 -1.26 -4.78 113.62 117.70 2ja7 n SER 88 Ca -0.06 1.06 0.11 0.00 -1.33 0.00 0.00 58.87 58.65 2ja7 n SER 88 Cb 0.63 -1.06 0.63 0.00 -0.75 0.00 0.00 64.21 63.66 2ja7 n SER 88 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2ja7 n GLN 89 N 5.21 0.65 -2.53 -1.46 1.13 -1.24 -4.53 117.38 114.61 2ja7 n GLN 89 Ca 0.30 0.00 -0.41 0.00 -1.94 0.00 0.00 57.00 54.95 2ja7 n GLN 89 Cb 0.07 -1.50 -0.03 0.00 0.11 0.00 0.00 30.24 28.89 2ja7 n GLN 89 CO 0.00 0.00 0.00 -1.14 -1.44 0.00 0.00 177.06 174.48 2ja7 s GLN 90 N -2.03 3.24 -0.74 -1.09 0.74 -1.25 -4.89 119.66 113.64 2ja7 s GLN 90 Ca 0.31 -0.07 -0.16 0.00 0.05 0.00 0.00 55.36 55.49 2ja7 s GLN 90 Cb 0.15 -4.15 -0.13 0.00 1.10 0.00 0.00 33.01 29.98 2ja7 s GLN 90 CO 0.25 -2.06 1.92 0.54 -0.55 0.00 0.00 175.29 175.39 2ja7 n ARG 91 N 9.14 1.54 -4.23 1.67 5.12 -1.26 -4.87 116.66 123.77 2ja7 n ARG 91 Ca 0.05 -1.62 -0.23 0.00 -1.93 0.00 0.00 57.85 54.12 2ja7 n ARG 91 Cb 0.49 -2.71 -0.07 0.00 -1.16 0.00 0.00 32.46 29.02 2ja7 n ARG 91 CO 0.00 0.00 0.00 0.50 -1.93 0.00 0.00 177.63 176.20 2ja7 s ARG 92 N 4.60 2.36 -0.05 5.56 3.52 -1.26 -5.07 118.95 128.60 2ja7 s ARG 92 Ca 0.50 -1.44 -0.08 0.00 -0.13 0.00 0.00 55.73 54.57 2ja7 s ARG 92 Cb 0.12 -2.18 -0.04 0.00 -1.56 0.00 0.00 34.95 31.29 2ja7 s ARG 92 CO 0.08 0.28 0.36 0.87 -0.81 0.00 0.00 175.30 176.07 2ja7 h LYS 93 N 1.75 -0.27 0.00 5.12 1.57 -2.04 -3.32 116.57 119.38 2ja7 h LYS 93 Ca -0.44 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.36 2ja7 h LYS 93 Cb 1.25 0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.62 2ja7 h LYS 93 CO 0.62 -0.18 0.07 -0.40 -0.57 0.00 0.00 179.45 178.99 2ja7 n ASP 94 N -4.50 0.30 -4.50 0.86 5.75 -1.26 -4.82 116.55 108.39 2ja7 n ASP 94 Ca -0.03 0.60 -0.38 0.00 -0.01 0.00 0.00 54.79 54.97 2ja7 n ASP 94 Cb 0.11 -0.62 0.04 0.00 -1.03 0.00 0.00 41.12 39.62 2ja7 n ASP 94 CO 0.00 0.00 0.00 0.41 -0.11 0.00 0.00 177.20 177.50 2ja7 n THR 95 N -1.89 2.55 -2.34 2.12 -1.04 -1.25 -5.00 114.28 107.43 2ja7 n THR 95 Ca -0.01 -0.50 -0.25 0.00 -2.04 0.00 0.00 64.05 61.26 2ja7 n THR 95 Cb 0.09 -0.77 0.07 0.00 -1.82 0.00 0.00 70.33 67.90 2ja7 n THR 95 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 2ja7 s SER 96 N -1.19 4.73 -0.51 8.00 1.04 -1.26 -5.04 113.70 119.47 2ja7 s SER 96 Ca 0.70 0.21 0.02 0.00 0.48 0.00 0.00 55.95 57.36 2ja7 s SER 96 Cb -0.44 -0.83 0.45 0.00 0.10 0.00 0.00 66.02 65.30 2ja7 s SER 96 CO 0.53 -1.61 1.67 0.23 0.98 0.00 0.00 173.24 175.04 2ja7 n MET 97 N -2.83 3.09 -3.28 4.02 2.81 -1.26 -4.69 117.12 114.97 2ja7 n MET 97 Ca 0.10 -3.68 -0.33 0.00 -1.81 0.00 0.00 57.70 51.98 2ja7 n MET 97 Cb 0.60 -2.28 -0.06 0.00 -0.71 0.00 0.00 33.22 30.77 2ja7 n MET 97 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 2ja7 s VAL 98 N -4.75 4.80 0.09 2.03 1.01 -1.26 -5.05 120.40 117.28 2ja7 s VAL 98 Ca 0.59 0.74 -0.09 0.00 0.00 0.00 0.00 61.98 63.22 2ja7 s VAL 98 Cb 0.47 -3.64 -0.06 0.00 0.00 0.00 0.00 36.38 33.15 2ja7 s VAL 98 CO 0.00 -0.07 0.39 -0.76 0.00 0.00 0.00 175.10 174.66 2ja7 s LEU 99 N -2.76 4.33 -0.23 3.92 1.43 -1.26 -4.29 118.68 119.82 2ja7 s LEU 99 Ca 0.49 0.74 -0.01 0.00 -1.03 0.00 0.00 54.13 54.32 2ja7 s LEU 99 Cb -0.11 -3.05 0.02 0.00 0.03 0.00 0.00 46.19 43.08 2ja7 s LEU 99 CO 0.19 0.15 -0.09 -0.36 0.23 0.00 0.00 176.35 176.47 2ja7 s PHE 100 N -1.45 3.01 0.43 0.29 0.40 -1.14 -1.68 117.98 117.84 2ja7 s PHE 100 Ca 0.35 -1.56 0.07 0.00 -0.60 0.00 0.00 56.93 55.19 2ja7 s PHE 100 Cb -0.13 -2.03 0.01 0.00 0.51 0.00 0.00 43.02 41.38 2ja7 s PHE 100 CO 0.19 -0.73 0.59 -0.06 0.70 0.00 0.00 175.22 175.91 2ja7 s PHE 101 N 1.32 2.83 -0.07 0.36 0.40 0.60 -3.03 117.98 120.40 2ja7 s PHE 101 Ca 0.01 -0.34 -0.03 0.00 -0.60 0.00 0.00 56.93 55.97 2ja7 s PHE 101 Cb -0.16 -2.40 0.04 0.00 0.51 0.00 0.00 43.02 41.01 2ja7 s PHE 101 CO -0.06 -0.45 0.13 0.08 0.70 0.00 0.00 175.22 175.62 2ja7 s VAL 102 N -2.39 -0.13 -0.04 -0.44 1.01 -1.24 -3.31 120.40 113.87 2ja7 s VAL 102 Ca 0.55 0.26 -0.30 0.00 0.00 0.00 0.00 61.98 62.49 2ja7 s VAL 102 Cb -0.10 -0.24 -0.04 0.00 0.00 0.00 0.00 36.38 36.00 2ja7 s VAL 102 CO 0.34 0.11 1.30 0.00 0.00 0.00 0.00 175.10 176.84 2ja7 n LEU 104 N 5.43 0.10 -2.88 0.00 4.77 -0.93 -1.85 117.00 121.65 2ja7 n LEU 104 Ca 0.12 0.51 -0.26 0.00 -0.03 0.00 0.00 56.01 56.36 2ja7 n LEU 104 Cb 0.45 -0.48 -0.03 0.00 -2.33 0.00 0.00 43.42 41.03 2ja7 n LEU 104 CO 0.57 -0.08 0.11 -1.20 -1.33 0.00 0.00 177.39 175.46 2ja7 n SER 105 N -1.60 4.05 0.00 -1.43 7.64 -1.26 -4.80 113.62 116.23 2ja7 n SER 105 Ca 0.06 -3.59 0.00 0.00 1.01 0.00 0.00 58.87 56.35 2ja7 n SER 105 Cb 0.31 -0.55 0.00 0.00 -1.01 0.00 0.00 64.21 62.97 2ja7 n SER 105 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2ja7 n SER 107 N 0.00 -1.10 -4.94 0.00 7.64 -0.77 -5.02 113.62 109.42 2ja7 n SER 107 Ca 0.00 0.00 -0.25 0.00 1.01 0.00 0.00 58.87 59.63 2ja7 n SER 107 Cb 0.00 -0.31 -0.02 0.00 -1.01 0.00 0.00 64.21 62.87 2ja7 n SER 107 CO 0.00 0.00 0.00 -2.28 -3.01 0.00 0.00 175.04 169.75 2ja7 s HIS 108 N -2.48 3.48 -0.80 1.43 5.65 -1.26 -4.87 115.29 116.44 2ja7 s HIS 108 Ca 0.00 0.25 0.02 0.00 0.25 0.00 0.00 55.06 55.58 2ja7 s HIS 108 Cb 0.00 -1.80 0.23 0.00 -1.18 0.00 0.00 32.58 29.83 2ja7 s HIS 108 CO 0.00 0.31 0.78 -0.89 -0.65 0.00 0.00 174.74 174.29 2ja7 n ILE 109 N -1.23 2.76 -3.43 0.89 5.41 -1.26 -3.01 119.36 119.48 2ja7 n ILE 109 Ca -0.06 -5.18 -0.35 0.00 1.00 0.00 0.00 62.75 58.16 2ja7 n ILE 109 Cb 0.55 -2.22 -0.06 0.00 -0.71 0.00 0.00 39.64 37.21 2ja7 n ILE 109 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 176.55 177.27 2ja7 s PHE 110 N -1.88 3.61 0.51 1.39 -0.00 -1.21 -4.84 117.98 115.56 2ja7 s PHE 110 Ca 0.31 0.98 0.08 0.00 -0.00 0.00 0.00 56.93 58.29 2ja7 s PHE 110 Cb 0.01 -2.30 0.03 0.00 -0.00 0.00 0.00 43.02 40.76 2ja7 s PHE 110 CO -0.08 0.47 0.54 0.99 -0.00 0.00 0.00 175.22 177.14 2ja7 s THR 111 N -1.41 2.23 -0.26 -4.49 2.01 -1.26 -0.29 115.64 112.16 2ja7 s THR 111 Ca 0.35 -1.24 0.12 0.00 0.31 0.00 0.00 61.69 61.23 2ja7 s THR 111 Cb -0.15 -2.47 0.57 0.00 0.01 0.00 0.00 72.50 70.47 2ja7 s THR 111 CO 0.18 0.00 1.54 -0.24 -0.69 0.00 0.00 174.62 175.42 2ja7 n SER 112 N -1.87 3.57 -4.57 3.53 2.88 -0.67 -4.86 113.62 111.63 2ja7 n SER 112 Ca 0.06 -3.36 -0.18 0.00 -1.33 0.00 0.00 58.87 54.07 2ja7 n SER 112 Cb 0.62 -0.63 -0.08 0.00 -0.75 0.00 0.00 64.21 63.36 2ja7 n SER 112 CO 0.00 0.00 0.00 -1.81 -1.23 0.00 0.00 175.04 172.00 2ja7 s ASP 113 N -1.94 3.99 0.32 -3.46 1.01 -1.26 -4.66 116.67 110.68 2ja7 s ASP 113 Ca 0.46 -0.69 0.22 0.00 0.71 0.00 0.00 52.55 53.25 2ja7 s ASP 113 Cb 0.39 -2.58 1.18 0.00 1.01 0.00 0.00 42.92 42.93 2ja7 s ASP 113 CO 0.07 -4.01 1.67 0.00 0.21 0.00 0.00 175.17 173.11 2ja7 n GLN 114 N 8.49 0.14 0.15 8.23 6.02 -1.26 -0.50 117.38 138.65 2ja7 n GLN 114 Ca 0.43 0.63 0.11 0.00 -0.01 0.00 0.00 57.00 58.17 2ja7 n GLN 114 Cb 0.46 -1.96 0.07 0.00 1.02 0.00 0.00 30.24 29.82 2ja7 n GLN 114 CO 0.00 0.00 0.00 0.87 -1.01 0.00 0.00 177.06 176.92 2ja7 h LYS 115 N 0.00 0.00 -2.96 -1.09 1.57 -2.01 -3.47 116.57 108.60 2ja7 h LYS 115 Ca 0.00 0.00 -0.27 0.00 -1.87 0.00 0.00 60.65 58.51 2ja7 h LYS 115 Cb 0.01 0.00 0.03 0.00 0.08 0.00 0.00 32.23 32.36 2ja7 h LYS 115 CO 0.00 0.02 -0.39 0.09 -0.57 0.00 0.00 179.45 178.60 2ja7 n ASN 116 N -2.86 -4.52 0.00 0.86 3.02 0.35 -5.28 115.26 106.83 2ja7 n ASN 116 Ca 0.01 -0.17 0.12 0.00 -0.03 0.00 0.00 54.58 54.51 2ja7 n ASN 116 Cb 0.55 -3.43 0.69 0.00 -0.61 0.00 0.00 39.78 36.99 2ja7 n ASN 116 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93