#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ja6 s ASN 3 N 0.00 3.43 0.56 4.04 0.01 -1.26 -4.84 114.94 116.88 2ja6 s ASN 3 Ca 0.00 -1.54 0.07 0.00 -0.71 0.00 0.00 52.86 50.68 2ja6 s ASN 3 Cb 0.00 0.19 0.07 0.00 0.41 0.00 0.00 41.25 41.92 2ja6 s ASN 3 CO 0.00 -0.73 0.77 -0.89 -1.51 0.00 0.00 177.10 174.73 2ja6 s THR 4 N -3.00 2.40 0.00 1.60 2.01 -1.26 -4.13 115.64 113.26 2ja6 s THR 4 Ca 0.22 -0.90 0.00 0.00 0.31 0.00 0.00 61.69 61.32 2ja6 s THR 4 Cb 0.05 -2.50 0.00 0.00 0.01 0.00 0.00 72.50 70.06 2ja6 s THR 4 CO 0.11 0.00 0.27 0.18 -0.69 0.00 0.00 174.62 174.50 2ja6 n LEU 5 N -2.25 0.00 -3.65 4.42 4.77 -1.26 -4.75 117.00 114.28 2ja6 n LEU 5 Ca 0.13 -0.05 -0.01 0.00 -0.03 0.00 0.00 56.01 56.05 2ja6 n LEU 5 Cb 0.61 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.63 2ja6 n LEU 5 CO 0.40 0.06 0.99 0.12 -1.33 0.00 0.00 177.39 177.64 2ja6 s PHE 6 N 0.00 -0.17 -0.01 -1.77 5.36 -1.26 -4.56 117.98 115.57 2ja6 s PHE 6 Ca 0.00 0.36 -0.00 0.00 -0.96 0.00 0.00 56.93 56.33 2ja6 s PHE 6 Cb 0.00 0.26 0.02 0.00 -0.34 0.00 0.00 43.02 42.96 2ja6 s PHE 6 CO 0.00 -0.08 0.02 0.34 -1.46 0.00 0.00 175.22 174.04 2ja6 s ASP 7 N 0.65 0.04 0.00 6.13 -1.08 -1.26 -3.32 116.67 117.83 2ja6 s ASP 7 Ca -0.02 0.02 0.00 0.00 -0.52 0.00 0.00 52.55 52.03 2ja6 s ASP 7 Cb -0.04 -0.04 0.00 0.00 -1.46 0.00 0.00 42.92 41.39 2ja6 s ASP 7 CO -0.12 -0.07 0.00 -0.67 0.52 0.00 0.00 175.17 174.83 2ja6 n ASP 8 N 3.68 0.00 -4.14 -0.34 2.03 -1.12 -5.04 116.55 111.62 2ja6 n ASP 8 Ca -0.21 0.00 -0.24 0.00 0.52 0.00 0.00 54.79 54.86 2ja6 n ASP 8 Cb 0.55 0.00 -0.15 0.00 -0.72 0.00 0.00 41.12 40.79 2ja6 n ASP 8 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 2ja6 s ILE 9 N -2.00 1.32 0.22 5.18 1.01 -1.26 -2.01 121.20 123.66 2ja6 s ILE 9 Ca 0.00 -0.70 0.05 0.00 0.00 0.00 0.00 60.65 60.00 2ja6 s ILE 9 Cb 0.00 -1.11 -0.05 0.00 0.01 0.00 0.00 42.46 41.31 2ja6 s ILE 9 CO 0.00 0.38 -0.05 -0.36 0.00 0.00 0.00 174.94 174.90 2ja6 s PHE 10 N -0.26 1.63 -0.09 3.97 0.40 0.88 -2.24 117.98 122.26 2ja6 s PHE 10 Ca 0.04 -0.79 0.03 0.00 -0.60 0.00 0.00 56.93 55.60 2ja6 s PHE 10 Cb -0.08 -0.90 0.01 0.00 0.51 0.00 0.00 43.02 42.56 2ja6 s PHE 10 CO 0.00 0.11 -0.19 -1.14 0.70 0.00 0.00 175.22 174.71 2ja6 s GLN 11 N -3.78 2.48 -0.38 0.44 0.74 -0.63 -1.57 119.66 116.96 2ja6 s GLN 11 Ca 0.26 -0.68 -0.28 0.00 0.05 0.00 0.00 55.36 54.71 2ja6 s GLN 11 Cb 0.04 -1.95 -0.02 0.00 1.10 0.00 0.00 33.01 32.19 2ja6 s GLN 11 CO 0.08 0.09 1.76 0.08 -0.55 0.00 0.00 175.29 176.75 2ja6 s VAL 12 N 0.55 3.52 0.12 1.34 1.01 -1.21 -1.99 120.40 123.73 2ja6 s VAL 12 Ca -0.16 0.50 -0.13 0.00 0.00 0.00 0.00 61.98 62.20 2ja6 s VAL 12 Cb -0.17 -3.76 -0.07 0.00 0.00 0.00 0.00 36.38 32.38 2ja6 s VAL 12 CO 0.06 -0.53 1.43 0.77 0.00 0.00 0.00 175.10 176.83 2ja6 h SER 13 N 12.89 0.91 -3.60 3.32 4.64 -0.50 0.16 113.55 131.38 2ja6 h SER 13 Ca -0.32 -0.49 0.03 0.00 -0.47 0.00 0.00 61.79 60.54 2ja6 h SER 13 Cb 1.16 -0.26 -0.24 0.00 -0.31 0.00 0.00 62.40 62.75 2ja6 h SER 13 CO 1.07 1.22 0.37 -0.70 -0.87 0.00 0.00 176.83 177.91 2ja6 s GLU 14 N -4.30 0.63 -0.12 4.77 2.12 -1.15 -4.76 118.70 115.89 2ja6 s GLU 14 Ca -0.11 0.64 -0.03 0.00 0.36 0.00 0.00 54.97 55.82 2ja6 s GLU 14 Cb 0.10 0.31 -0.03 0.00 0.26 0.00 0.00 34.13 34.76 2ja6 s GLU 14 CO 0.87 -0.10 -0.01 0.08 -0.54 0.00 0.00 175.26 175.56 2ja6 s VAL 15 N 0.05 4.17 -0.11 3.70 1.01 -1.26 -2.65 120.40 125.31 2ja6 s VAL 15 Ca 0.01 -0.28 0.00 0.00 0.00 0.00 0.00 61.98 61.71 2ja6 s VAL 15 Cb -0.04 -2.79 0.02 0.00 0.00 0.00 0.00 36.38 33.57 2ja6 s VAL 15 CO -0.03 0.55 -0.10 -0.62 0.00 0.00 0.00 175.10 174.91 2ja6 s ASP 16 N -0.33 2.18 -0.77 3.32 2.15 -0.74 -4.99 116.67 117.48 2ja6 s ASP 16 Ca 0.06 -0.33 -0.03 0.00 0.43 0.00 0.00 52.55 52.68 2ja6 s ASP 16 Cb -0.12 -0.89 0.20 0.00 -0.30 0.00 0.00 42.92 41.80 2ja6 s ASP 16 CO 0.02 -0.07 0.63 -2.16 -0.17 0.00 0.00 175.17 173.42 2ja6 s PRO 17 N 1.44 3.00 -1.31 4.34 0.04 -1.26 -1.72 135.00 139.52 2ja6 s PRO 17 Ca 0.01 -2.91 -0.13 0.00 0.04 0.00 0.00 61.00 58.01 2ja6 s PRO 17 Cb -0.13 -3.89 0.13 0.00 0.04 0.00 0.00 34.50 30.64 2ja6 s PRO 17 CO -0.06 -1.23 1.82 0.41 0.04 0.00 0.00 177.00 177.98 2ja6 n GLY 18 N 2.94 4.00 2.49 0.56 0.00 -1.26 -4.36 105.19 109.56 2ja6 n GLY 18 Ca 0.15 -1.87 -0.13 0.00 0.00 0.00 0.00 46.02 44.17 2ja6 n GLY 18 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ja6 n ARG 19 N 5.50 -2.88 -3.49 1.61 1.74 -1.26 -4.98 116.66 112.90 2ja6 n ARG 19 Ca 0.43 0.55 -0.27 0.00 -0.77 0.00 0.00 57.85 57.79 2ja6 n ARG 19 Cb 0.40 -4.65 -0.09 0.00 -1.02 0.00 0.00 32.46 27.10 2ja6 n ARG 19 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 2ja6 n TYR 20 N -4.00 2.36 -0.45 -1.55 0.53 -1.26 -4.98 117.16 107.81 2ja6 n TYR 20 Ca -0.07 -4.00 0.34 0.00 -1.02 0.00 0.00 57.90 53.15 2ja6 n TYR 20 Cb 0.57 -0.46 0.53 0.00 -1.03 0.00 0.00 39.34 38.96 2ja6 n TYR 20 CO 0.00 0.00 0.00 0.09 -1.02 0.00 0.00 176.86 175.93 2ja6 n ASN 21 N 1.42 0.03 -0.04 7.72 3.02 -1.26 -0.81 115.26 125.34 2ja6 n ASN 21 Ca 0.26 0.72 0.02 0.00 -0.03 0.00 0.00 54.58 55.55 2ja6 n ASN 21 Cb 0.42 -0.36 0.03 0.00 -0.61 0.00 0.00 39.78 39.27 2ja6 n ASN 21 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2ja6 n LYS 22 N -3.44 2.16 -3.66 3.52 5.02 -1.26 -4.99 118.16 115.51 2ja6 n LYS 22 Ca 0.29 -1.65 -0.11 0.00 -2.02 0.00 0.00 58.31 54.83 2ja6 n LYS 22 Cb 1.30 -1.05 -0.08 0.00 -0.02 0.00 0.00 35.03 35.17 2ja6 n LYS 22 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2ja6 s VAL 23 N -1.32 -0.00 0.10 -0.18 1.01 0.01 -3.27 120.40 116.74 2ja6 s VAL 23 Ca 0.08 0.02 0.06 0.00 0.00 0.00 0.00 61.98 62.13 2ja6 s VAL 23 Cb 0.07 -0.86 -0.03 0.00 0.00 0.00 0.00 36.38 35.55 2ja6 s VAL 23 CO 0.01 0.01 -0.14 0.00 0.00 0.00 0.00 175.10 174.97 2ja6 s ARG 25 N -2.25 4.26 0.05 0.00 3.52 -0.70 0.40 118.95 124.23 2ja6 s ARG 25 Ca 0.04 0.12 0.06 0.00 -0.13 0.00 0.00 55.73 55.82 2ja6 s ARG 25 Cb -0.07 -3.43 -0.04 0.00 -1.56 0.00 0.00 34.95 29.85 2ja6 s ARG 25 CO 0.03 0.21 -0.10 0.42 -0.81 0.00 0.00 175.30 175.05 2ja6 s ILE 26 N 0.54 3.40 -0.16 4.11 1.01 0.20 -1.79 121.20 128.51 2ja6 s ILE 26 Ca 0.17 -1.05 -0.02 0.00 0.00 0.00 0.00 60.65 59.75 2ja6 s ILE 26 Cb -0.13 -2.52 0.05 0.00 0.01 0.00 0.00 42.46 39.86 2ja6 s ILE 26 CO 0.04 0.26 -0.01 -1.61 0.00 0.00 0.00 174.94 173.63 2ja6 s GLU 27 N -1.77 0.95 0.46 2.79 2.02 -1.09 0.16 118.70 122.22 2ja6 s GLU 27 Ca 0.19 -0.35 0.03 0.00 0.02 0.00 0.00 54.97 54.85 2ja6 s GLU 27 Cb -0.11 -1.83 -0.01 0.00 0.10 0.00 0.00 34.13 32.28 2ja6 s GLU 27 CO 0.10 -0.49 0.09 0.00 0.02 0.00 0.00 175.26 174.98 2ja6 s ALA 28 N 1.79 3.46 0.29 5.21 0.00 -0.56 0.30 121.76 132.25 2ja6 s ALA 28 Ca 0.01 -0.79 0.02 0.00 0.00 0.00 0.00 51.96 51.21 2ja6 s ALA 28 Cb -0.15 0.48 -0.05 0.00 0.00 0.00 0.00 23.12 23.40 2ja6 s ALA 28 CO -0.07 -0.22 0.09 0.00 0.00 0.00 0.00 175.76 175.56 2ja6 s ALA 29 N -3.07 2.02 -0.16 0.00 0.00 -0.84 -1.43 121.76 118.27 2ja6 s ALA 29 Ca 0.15 -1.88 -0.11 0.00 0.00 0.00 0.00 51.96 50.12 2ja6 s ALA 29 Cb 0.01 0.92 -0.05 0.00 0.00 0.00 0.00 23.12 24.01 2ja6 s ALA 29 CO 0.10 -0.41 0.21 0.45 0.00 0.00 0.00 175.76 176.11 2ja6 s SER 30 N -3.39 6.37 -0.88 0.00 0.15 -0.98 -1.60 113.70 113.36 2ja6 s SER 30 Ca 0.36 0.43 -0.06 0.00 0.70 0.00 0.00 55.95 57.38 2ja6 s SER 30 Cb 0.08 -2.13 -0.05 0.00 -1.71 0.00 0.00 66.02 62.21 2ja6 s SER 30 CO 0.15 0.21 2.95 0.41 1.20 0.00 0.00 173.24 178.15 2ja6 n THR 31 N 3.11 4.01 0.00 6.45 -1.04 -0.95 -4.36 114.28 121.50 2ja6 n THR 31 Ca -0.15 -2.84 0.00 0.00 -2.04 0.00 0.00 64.05 59.02 2ja6 n THR 31 Cb 0.53 -2.10 0.00 0.00 -1.82 0.00 0.00 70.33 66.93 2ja6 n THR 31 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 2ja6 n THR 32 N 2.25 0.00 -1.96 12.58 -1.04 -1.26 -4.95 114.28 119.90 2ja6 n THR 32 Ca 0.59 0.00 -0.40 0.00 -2.04 0.00 0.00 64.05 62.20 2ja6 n THR 32 Cb 0.48 0.00 -0.00 0.00 -1.82 0.00 0.00 70.33 68.99 2ja6 n THR 32 CO 0.00 0.00 0.00 -1.10 -0.64 0.00 0.00 175.07 173.33 2ja6 s GLN 33 N 1.89 3.96 -0.03 -2.82 1.11 -1.26 -4.87 119.66 117.64 2ja6 s GLN 33 Ca 0.00 2.29 0.05 0.00 0.01 0.00 0.00 55.36 57.71 2ja6 s GLN 33 Cb 0.00 -2.80 0.19 0.00 -1.01 0.00 0.00 33.01 29.39 2ja6 s GLN 33 CO 0.00 -0.55 0.97 -0.25 0.01 0.00 0.00 175.29 175.47 2ja6 n ASP 34 N 0.17 1.62 -0.10 5.90 8.00 -1.26 -3.86 116.55 127.01 2ja6 n ASP 34 Ca 0.03 -2.12 -0.20 0.00 0.71 0.00 0.00 54.79 53.21 2ja6 n ASP 34 Cb 0.42 -0.35 -0.07 0.00 -0.02 0.00 0.00 41.12 41.11 2ja6 n ASP 34 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2ja6 n GLN 35 N 0.10 0.43 -1.55 -1.24 6.02 -1.26 -4.95 117.38 114.94 2ja6 n GLN 35 Ca 0.07 0.19 -0.29 0.00 -0.01 0.00 0.00 57.00 56.95 2ja6 n GLN 35 Cb 0.33 -1.23 -0.06 0.00 1.02 0.00 0.00 30.24 30.30 2ja6 n GLN 35 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2ja6 s LYS 37 N 8.49 2.96 -0.01 0.00 1.02 -0.88 -2.32 119.74 129.01 2ja6 s LYS 37 Ca 1.02 -0.87 0.01 0.00 0.02 0.00 0.00 55.97 56.14 2ja6 s LYS 37 Cb -0.29 -2.67 0.00 0.00 -0.52 0.00 0.00 37.83 34.35 2ja6 s LYS 37 CO 0.24 0.47 -0.03 -1.17 -0.92 0.00 0.00 175.35 173.95 2ja6 s LEU 38 N -3.25 1.87 -0.26 3.17 2.96 -0.52 -2.06 118.68 120.59 2ja6 s LEU 38 Ca 0.32 -0.06 -0.02 0.00 -0.22 0.00 0.00 54.13 54.15 2ja6 s LEU 38 Cb -0.10 -0.20 0.08 0.00 0.50 0.00 0.00 46.19 46.47 2ja6 s LEU 38 CO 0.24 0.02 0.07 -0.89 -1.32 0.00 0.00 176.35 174.47 2ja6 s THR 39 N 0.10 0.69 -0.03 3.68 2.01 -0.23 -1.50 115.64 120.37 2ja6 s THR 39 Ca -0.01 -0.99 0.01 0.00 0.31 0.00 0.00 61.69 61.01 2ja6 s THR 39 Cb -0.04 -1.36 0.02 0.00 0.01 0.00 0.00 72.50 71.13 2ja6 s THR 39 CO -0.00 -0.45 -0.03 -0.22 -0.69 0.00 0.00 174.62 173.23 2ja6 s LEU 40 N 1.74 1.48 0.41 4.42 2.96 0.12 0.95 118.68 130.77 2ja6 s LEU 40 Ca 0.04 -0.07 -0.23 0.00 -0.22 0.00 0.00 54.13 53.65 2ja6 s LEU 40 Cb -0.17 -0.29 -0.09 0.00 0.50 0.00 0.00 46.19 46.14 2ja6 s LEU 40 CO -0.18 -0.04 1.03 -1.81 -1.32 0.00 0.00 176.35 174.03 2ja6 s ASP 41 N 0.63 6.75 -0.19 3.68 1.01 -0.98 0.58 116.67 128.15 2ja6 s ASP 41 Ca -0.07 1.97 -0.16 0.00 0.71 0.00 0.00 52.55 55.01 2ja6 s ASP 41 Cb -0.10 -2.58 0.05 0.00 1.01 0.00 0.00 42.92 41.30 2ja6 s ASP 41 CO -0.01 -0.50 0.49 -0.63 0.21 0.00 0.00 175.17 174.74 2ja6 s ILE 42 N -1.75 -0.00 -0.76 0.77 1.01 0.16 -4.82 121.20 115.81 2ja6 s ILE 42 Ca 0.59 0.02 -0.26 0.00 0.00 0.00 0.00 60.65 61.00 2ja6 s ILE 42 Cb -0.20 -0.70 -0.06 0.00 0.01 0.00 0.00 42.46 41.52 2ja6 s ILE 42 CO 0.25 0.01 2.07 0.21 0.00 0.00 0.00 174.94 177.47 2ja6 s ASN 43 N 0.53 4.85 0.00 3.58 3.84 -1.26 -1.89 114.94 124.59 2ja6 s ASN 43 Ca -0.02 -0.06 0.00 0.00 0.21 0.00 0.00 52.86 52.99 2ja6 s ASN 43 Cb -0.04 -2.54 0.00 0.00 -0.55 0.00 0.00 41.25 38.11 2ja6 s ASN 43 CO -0.03 -2.88 1.47 0.52 -2.79 0.00 0.00 177.10 173.39 2ja6 n VAL 44 N 7.89 1.47 0.00 -5.21 0.31 -1.20 -2.98 118.33 118.61 2ja6 n VAL 44 Ca 0.36 -0.27 0.00 0.00 -0.01 0.00 0.00 64.34 64.42 2ja6 n VAL 44 Cb 0.49 -1.25 0.00 0.00 -0.91 0.00 0.00 33.84 32.16 2ja6 n VAL 44 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 2ja6 n GLU 45 N 1.10 2.37 -0.00 5.55 2.13 -1.26 -4.38 120.64 126.14 2ja6 n GLU 45 Ca 0.00 0.00 0.09 0.00 0.66 0.00 0.00 57.16 57.91 2ja6 n GLU 45 Cb 0.47 -0.79 -0.11 0.00 0.27 0.00 0.00 31.44 31.28 2ja6 n GLU 45 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 2ja6 n LEU 46 N -1.33 0.87 -2.76 4.31 4.77 -1.18 -4.67 117.00 117.01 2ja6 n LEU 46 Ca 0.00 -0.49 -0.08 0.00 -0.03 0.00 0.00 56.01 55.41 2ja6 n LEU 46 Cb 0.27 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.40 2ja6 n LEU 46 CO 0.00 0.22 0.19 0.33 -1.33 0.00 0.00 177.39 176.80 2ja6 n PHE 47 N -1.47 -3.31 -0.84 -1.77 7.35 -1.16 -5.02 117.46 111.24 2ja6 n PHE 47 Ca 0.03 -1.78 -0.34 0.00 -0.76 0.00 0.00 57.45 54.60 2ja6 n PHE 47 Cb 0.30 1.53 0.10 0.00 0.35 0.00 0.00 39.48 41.76 2ja6 n PHE 47 CO 0.00 0.00 0.00 -2.30 -0.76 0.00 0.00 176.76 173.70 2ja6 n PRO 48 N 1.66 -0.33 -3.66 -7.13 -0.02 -1.26 -4.55 135.00 119.72 2ja6 n PRO 48 Ca 0.09 -0.07 -0.07 0.00 -2.02 0.00 0.00 63.50 61.44 2ja6 n PRO 48 Cb 0.63 -1.59 -0.08 0.00 -0.02 0.00 0.00 33.50 32.44 2ja6 n PRO 48 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2ja6 s VAL 49 N -2.26 -0.39 0.23 -1.45 1.01 -1.26 -5.02 120.40 111.25 2ja6 s VAL 49 Ca 0.52 0.05 0.09 0.00 0.00 0.00 0.00 61.98 62.64 2ja6 s VAL 49 Cb -0.18 -0.85 -0.04 0.00 0.00 0.00 0.00 36.38 35.31 2ja6 s VAL 49 CO 0.71 0.02 -0.04 0.00 0.00 0.00 0.00 175.10 175.80 2ja6 s ALA 50 N 2.10 3.09 0.18 5.51 0.00 -1.26 -4.96 121.76 126.42 2ja6 s ALA 50 Ca -0.07 -1.57 -0.32 0.00 0.00 0.00 0.00 51.96 50.00 2ja6 s ALA 50 Cb -0.09 -0.78 -0.16 0.00 0.00 0.00 0.00 23.12 22.09 2ja6 s ALA 50 CO -0.17 0.35 0.99 0.00 0.00 0.00 0.00 175.76 176.94 2ja6 n ALA 51 N -0.51 -1.42 -2.66 0.00 0.00 -1.26 -4.21 120.51 110.45 2ja6 n ALA 51 Ca -0.08 0.46 -0.02 0.00 0.00 0.00 0.00 53.44 53.79 2ja6 n ALA 51 Cb 0.57 -1.91 0.00 0.00 0.00 0.00 0.00 19.45 18.12 2ja6 n ALA 51 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2ja6 n GLN 52 N 1.37 -2.90 -4.03 0.00 6.02 0.56 -4.96 117.38 113.44 2ja6 n GLN 52 Ca 0.15 2.42 -0.09 0.00 -0.01 0.00 0.00 57.00 59.47 2ja6 n GLN 52 Cb 0.24 -5.15 -0.09 0.00 1.02 0.00 0.00 30.24 26.27 2ja6 n GLN 52 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2ja6 s ASP 53 N -1.82 0.24 -1.13 1.08 1.01 -1.26 -4.84 116.67 109.95 2ja6 s ASP 53 Ca 0.07 -0.98 -0.07 0.00 0.71 0.00 0.00 52.55 52.28 2ja6 s ASP 53 Cb -0.02 0.32 0.27 0.00 1.01 0.00 0.00 42.92 44.50 2ja6 s ASP 53 CO 0.72 -0.75 1.37 -1.54 0.21 0.00 0.00 175.17 175.18 2ja6 n SER 54 N -0.08 5.84 -4.79 0.27 3.41 -1.26 -3.32 113.62 113.69 2ja6 n SER 54 Ca -0.09 -3.20 -0.37 0.00 -0.26 0.00 0.00 58.87 54.95 2ja6 n SER 54 Cb 0.63 -1.36 -0.06 0.00 -0.26 0.00 0.00 64.21 63.15 2ja6 n SER 54 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2ja6 s LEU 55 N -1.55 4.37 -0.34 1.04 1.43 -0.61 -4.74 118.68 118.28 2ja6 s LEU 55 Ca 0.33 1.68 -0.01 0.00 -1.03 0.00 0.00 54.13 55.11 2ja6 s LEU 55 Cb -0.01 -3.80 0.08 0.00 0.03 0.00 0.00 46.19 42.49 2ja6 s LEU 55 CO 0.01 -0.00 0.07 -0.89 0.23 0.00 0.00 176.35 175.77 2ja6 s THR 56 N -1.53 2.89 0.09 5.49 2.01 -1.17 -0.09 115.64 123.33 2ja6 s THR 56 Ca 0.46 -1.80 -0.21 0.00 0.31 0.00 0.00 61.69 60.45 2ja6 s THR 56 Cb -0.19 -2.86 -0.07 0.00 0.01 0.00 0.00 72.50 69.40 2ja6 s THR 56 CO 0.23 -0.38 0.62 -0.69 -0.69 0.00 0.00 174.62 173.71 2ja6 s VAL 57 N 1.14 4.67 0.25 3.82 1.01 -0.85 -3.32 120.40 127.11 2ja6 s VAL 57 Ca 0.02 1.34 0.01 0.00 0.00 0.00 0.00 61.98 63.35 2ja6 s VAL 57 Cb -0.21 -3.96 -0.03 0.00 0.00 0.00 0.00 36.38 32.18 2ja6 s VAL 57 CO -0.04 0.53 0.21 -0.89 0.00 0.00 0.00 175.10 174.92 2ja6 s THR 58 N -1.03 0.00 0.00 3.92 2.01 -1.04 -2.79 115.64 116.71 2ja6 s THR 58 Ca 0.31 -1.95 0.00 0.00 0.31 0.00 0.00 61.69 60.36 2ja6 s THR 58 Cb -0.20 -2.49 0.00 0.00 0.01 0.00 0.00 72.50 69.82 2ja6 s THR 58 CO 0.21 0.00 0.00 -0.38 -0.69 0.00 0.00 174.62 173.76 2ja6 n ILE 59 N -0.40 0.00 -0.84 1.82 5.41 -1.21 -2.87 119.36 121.26 2ja6 n ILE 59 Ca 0.04 0.00 0.06 0.00 1.00 0.00 0.00 62.75 63.84 2ja6 n ILE 59 Cb 0.64 0.00 -0.03 0.00 -0.71 0.00 0.00 39.64 39.54 2ja6 n ILE 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2ja6 n ALA 60 N -3.00 -1.81 -3.71 -1.39 0.00 -1.26 -4.48 120.51 104.87 2ja6 n ALA 60 Ca 0.00 0.43 -0.28 0.00 0.00 0.00 0.00 53.44 53.59 2ja6 n ALA 60 Cb 0.00 -0.96 -0.11 0.00 0.00 0.00 0.00 19.45 18.39 2ja6 n ALA 60 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2ja6 n SER 61 N -2.84 2.62 0.00 0.00 3.41 -1.26 -2.10 113.62 113.45 2ja6 n SER 61 Ca -0.03 -3.13 0.00 0.00 -0.26 0.00 0.00 58.87 55.44 2ja6 n SER 61 Cb 0.34 -0.71 0.00 0.00 -0.26 0.00 0.00 64.21 63.58 2ja6 n SER 61 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2ja6 n SER 62 N 1.81 0.00 -1.35 4.04 3.41 -1.26 -4.54 113.62 115.73 2ja6 n SER 62 Ca 0.23 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.84 2ja6 n SER 62 Cb 0.39 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.34 2ja6 n SER 62 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2ja6 n LEU 63 N 0.00 2.40 0.00 1.04 4.77 -1.26 -4.10 117.00 119.85 2ja6 n LEU 63 Ca 0.00 -1.13 0.00 0.00 -0.03 0.00 0.00 56.01 54.85 2ja6 n LEU 63 Cb 0.00 -0.47 0.00 0.00 -2.33 0.00 0.00 43.42 40.62 2ja6 n LEU 63 CO 0.00 0.43 0.00 0.59 -1.33 0.00 0.00 177.39 177.08 2ja6 n ASN 64 N 1.20 0.00 0.00 -1.43 3.02 -1.26 -3.94 115.26 112.85 2ja6 n ASN 64 Ca 0.00 0.13 0.00 0.00 -0.03 0.00 0.00 54.58 54.68 2ja6 n ASN 64 Cb 0.29 -0.26 0.00 0.00 -0.61 0.00 0.00 39.78 39.20 2ja6 n ASN 64 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 2ja6 n LEU 65 N -1.65 0.00 0.00 3.41 4.77 -1.26 -4.71 117.00 117.56 2ja6 n LEU 65 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 2ja6 n LEU 65 Cb 0.00 -0.29 0.00 0.00 -2.33 0.00 0.00 43.42 40.80 2ja6 n LEU 65 CO 0.00 0.00 0.00 0.41 -1.33 0.00 0.00 177.39 176.47 2ja6 n THR 76 N -2.58 0.00 -1.56 -5.08 -1.04 -1.26 -5.04 114.28 97.73 2ja6 n THR 76 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 2ja6 n THR 76 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 2ja6 n THR 76 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 2ja6 n ARG 77 N 0.00 -4.47 -1.16 -2.82 1.74 -1.26 -4.88 116.66 103.82 2ja6 n ARG 77 Ca 0.00 3.31 -0.38 0.00 -0.77 0.00 0.00 57.85 60.02 2ja6 n ARG 77 Cb 0.00 -3.72 0.03 0.00 -1.02 0.00 0.00 32.46 27.75 2ja6 n ARG 77 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 2ja6 n SER 78 N -0.73 -4.32 -4.65 0.55 3.41 -1.26 -4.91 113.62 101.71 2ja6 n SER 78 Ca 0.00 0.48 -0.38 0.00 -0.26 0.00 0.00 58.87 58.71 2ja6 n SER 78 Cb 0.00 -0.85 -0.08 0.00 -0.26 0.00 0.00 64.21 63.02 2ja6 n SER 78 CO 0.00 0.00 0.00 0.86 -0.16 0.00 0.00 175.04 175.74 2ja6 s TRP 79 N -1.99 3.33 0.27 7.33 -0.00 -1.26 -5.08 118.94 121.53 2ja6 s TRP 79 Ca 0.52 0.49 -0.09 0.00 -0.00 0.00 0.00 56.10 57.01 2ja6 s TRP 79 Cb -0.37 -2.49 -0.07 0.00 -0.00 0.00 0.00 33.47 30.54 2ja6 s TRP 79 CO 0.71 -0.05 0.59 1.03 -0.00 0.00 0.00 176.95 179.23 2ja6 s ARG 80 N 1.47 3.78 0.00 5.86 0.52 -1.26 -5.11 118.95 124.21 2ja6 s ARG 80 Ca 0.16 0.27 0.00 0.00 -0.52 0.00 0.00 55.73 55.64 2ja6 s ARG 80 Cb -0.15 -2.60 0.00 0.00 0.52 0.00 0.00 34.95 32.72 2ja6 s ARG 80 CO 0.08 0.24 0.00 -2.30 0.02 0.00 0.00 175.30 173.34 2ja6 n PRO 81 N -0.46 0.00 0.00 3.54 -0.02 -1.26 -5.07 135.00 131.74 2ja6 n PRO 81 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 2ja6 n PRO 81 Cb 0.53 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.01 2ja6 n PRO 81 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 2ja6 n PRO 82 N 0.00 0.00 0.00 0.52 -0.04 -1.26 -4.75 135.00 129.47 2ja6 n PRO 82 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 2ja6 n PRO 82 Cb 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.46 2ja6 n PRO 82 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 2ja6 n GLN 83 N 0.00 0.00 0.00 0.54 6.02 -1.26 -4.64 117.38 118.04 2ja6 n GLN 83 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 2ja6 n GLN 83 Cb 0.00 -0.38 0.00 0.00 1.02 0.00 0.00 30.24 30.88 2ja6 n GLN 83 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2ja6 n ALA 84 N 0.00 1.65 0.26 -1.58 0.00 -1.26 -3.35 120.51 116.23 2ja6 n ALA 84 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.52 2ja6 n ALA 84 Cb 0.00 -1.00 0.64 0.00 0.00 0.00 0.00 19.45 19.09 2ja6 n ALA 84 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2ja6 h GLY 85 N 2.40 0.00 -0.21 0.00 0.00 -1.93 -2.65 103.07 100.68 2ja6 h GLY 85 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2ja6 h GLY 85 CO 0.00 0.00 -0.10 1.34 0.00 0.00 0.00 176.54 177.78 2ja6 n ASP 86 N -4.37 1.43 -2.72 0.19 -0.08 -1.21 -5.07 116.55 104.72 2ja6 n ASP 86 Ca -0.03 -2.28 -0.05 0.00 -1.51 0.00 0.00 54.79 50.93 2ja6 n ASP 86 Cb 0.13 -0.21 0.02 0.00 2.34 0.00 0.00 41.12 43.40 2ja6 n ASP 86 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 2ja6 n ARG 87 N -0.69 0.91 -1.20 -0.67 1.74 -1.00 -5.07 116.66 110.69 2ja6 n ARG 87 Ca 0.06 -0.77 -0.35 0.00 -0.77 0.00 0.00 57.85 56.02 2ja6 n ARG 87 Cb 0.53 -0.05 0.08 0.00 -1.02 0.00 0.00 32.46 32.00 2ja6 n ARG 87 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 2ja6 n SER 88 N -2.81 -0.82 -2.74 0.55 3.41 -1.26 -4.94 113.62 105.00 2ja6 n SER 88 Ca 0.04 0.57 -0.08 0.00 -0.26 0.00 0.00 58.87 59.14 2ja6 n SER 88 Cb 0.15 -1.27 0.06 0.00 -0.26 0.00 0.00 64.21 62.88 2ja6 n SER 88 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2ja6 n LEU 89 N -0.93 -2.74 -0.74 1.04 4.77 -1.26 -4.93 117.00 112.20 2ja6 n LEU 89 Ca 0.10 -3.33 0.00 0.00 -0.03 0.00 0.00 56.01 52.75 2ja6 n LEU 89 Cb 0.50 0.85 0.00 0.00 -2.33 0.00 0.00 43.42 42.45 2ja6 n LEU 89 CO 0.50 2.00 0.04 0.00 -1.33 0.00 0.00 177.39 178.60 2ja6 n ALA 90 N 1.39 1.37 -1.05 -1.18 0.00 -1.25 -3.87 120.51 115.92 2ja6 n ALA 90 Ca 0.08 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.28 2ja6 n ALA 90 Cb 0.65 -1.00 0.12 0.00 0.00 0.00 0.00 19.45 19.22 2ja6 n ALA 90 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2ja6 n ASP 91 N 0.69 5.11 -0.86 0.00 5.75 -1.26 -4.70 116.55 121.28 2ja6 n ASP 91 Ca 0.00 -3.48 0.00 0.00 -0.01 0.00 0.00 54.79 51.30 2ja6 n ASP 91 Cb 0.04 -0.87 0.00 0.00 -1.03 0.00 0.00 41.12 39.25 2ja6 n ASP 91 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 2ja6 n ASP 92 N -0.81 0.89 -1.06 -1.12 8.00 -1.25 -4.67 116.55 116.53 2ja6 n ASP 92 Ca 0.53 -0.73 0.00 0.00 0.71 0.00 0.00 54.79 55.31 2ja6 n ASP 92 Cb 1.18 -0.18 0.00 0.00 -0.02 0.00 0.00 41.12 42.10 2ja6 n ASP 92 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 2ja6 n TYR 93 N 0.68 0.00 -0.15 1.24 4.02 -1.26 -4.96 117.16 116.73 2ja6 n TYR 93 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 2ja6 n TYR 93 Cb 0.16 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.48 2ja6 n TYR 93 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 176.86 175.60 2ja6 n ASP 94 N -0.78 0.78 -3.30 7.72 8.00 0.20 -4.97 116.55 124.20 2ja6 n ASP 94 Ca 0.00 -0.96 -0.02 0.00 0.71 0.00 0.00 54.79 54.52 2ja6 n ASP 94 Cb 0.00 0.06 -0.04 0.00 -0.02 0.00 0.00 41.12 41.12 2ja6 n ASP 94 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 2ja6 s TYR 95 N -0.06 -1.25 -0.25 1.24 6.04 -0.95 -4.88 117.35 117.24 2ja6 s TYR 95 Ca 0.00 1.44 -0.00 0.00 0.04 0.00 0.00 57.07 58.55 2ja6 s TYR 95 Cb 0.00 0.38 0.07 0.00 -1.04 0.00 0.00 41.96 41.37 2ja6 s TYR 95 CO 0.00 -0.78 0.00 0.08 -1.54 0.00 0.00 175.55 173.32 2ja6 s VAL 96 N 2.73 1.25 0.38 3.14 1.01 -1.26 -0.84 120.40 126.80 2ja6 s VAL 96 Ca 0.14 -1.20 0.06 0.00 0.00 0.00 0.00 61.98 60.98 2ja6 s VAL 96 Cb -0.15 -1.68 0.06 0.00 0.00 0.00 0.00 36.38 34.61 2ja6 s VAL 96 CO -0.18 -0.27 0.46 0.23 0.00 0.00 0.00 175.10 175.33 2ja6 n MET 97 N 4.75 0.80 -3.57 2.72 2.81 -1.04 -4.90 117.12 118.69 2ja6 n MET 97 Ca -0.08 -2.11 -0.00 0.00 -1.81 0.00 0.00 57.70 53.70 2ja6 n MET 97 Cb 0.44 -0.05 -0.04 0.00 -0.71 0.00 0.00 33.22 32.86 2ja6 n MET 97 CO 0.00 0.00 0.00 -0.47 1.51 0.00 0.00 175.97 177.01 2ja6 s TYR 98 N -1.48 -1.20 0.00 2.03 5.04 -1.26 -1.64 117.35 118.83 2ja6 s TYR 98 Ca 0.35 2.04 0.00 0.00 -2.44 0.00 0.00 57.07 57.01 2ja6 s TYR 98 Cb -0.03 0.70 0.00 0.00 0.35 0.00 0.00 41.96 42.99 2ja6 s TYR 98 CO 0.22 -0.60 0.00 0.41 -1.34 0.00 0.00 175.55 174.24 2ja6 n GLY 99 N 5.34 5.18 3.21 8.97 0.00 -1.25 -4.53 105.19 122.12 2ja6 n GLY 99 Ca -0.11 -0.88 -0.09 0.00 0.00 0.00 0.00 46.02 44.94 2ja6 n GLY 99 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2ja6 s THR 100 N 1.10 0.10 -0.12 2.61 2.01 0.31 -4.19 115.64 117.46 2ja6 s THR 100 Ca 0.00 -1.67 -0.01 0.00 0.31 0.00 0.00 61.69 60.32 2ja6 s THR 100 Cb 0.00 -1.88 -0.03 0.00 0.01 0.00 0.00 72.50 70.61 2ja6 s THR 100 CO 0.00 -0.47 -0.07 0.00 -0.69 0.00 0.00 174.62 173.39 2ja6 s ALA 101 N -4.00 2.90 -0.17 7.40 0.00 -1.26 0.83 121.76 127.46 2ja6 s ALA 101 Ca 0.19 -0.86 -0.14 0.00 0.00 0.00 0.00 51.96 51.15 2ja6 s ALA 101 Cb 0.06 -1.36 -0.06 0.00 0.00 0.00 0.00 23.12 21.76 2ja6 s ALA 101 CO -0.01 0.34 -0.25 2.48 0.00 0.00 0.00 175.76 178.33 2ja6 n TYR 102 N 3.10 0.45 -4.29 0.00 -0.00 -1.21 -4.86 117.16 110.36 2ja6 n TYR 102 Ca -0.18 0.20 -0.24 0.00 -0.00 0.00 0.00 57.90 57.68 2ja6 n TYR 102 Cb 0.53 -0.68 -0.08 0.00 -0.00 0.00 0.00 39.34 39.10 2ja6 n TYR 102 CO 0.00 0.00 0.00 0.21 -0.00 0.00 0.00 176.86 177.07 2ja6 s LYS 103 N -2.57 2.19 -0.52 -3.48 2.20 -1.26 -5.02 119.74 111.28 2ja6 s LYS 103 Ca -0.24 -1.57 0.07 0.00 -0.36 0.00 0.00 55.97 53.87 2ja6 s LYS 103 Cb 0.04 -2.06 0.30 0.00 -1.51 0.00 0.00 37.83 34.60 2ja6 s LYS 103 CO 0.36 0.25 0.78 1.19 -0.36 0.00 0.00 175.35 177.56 2ja6 n PHE 104 N -0.93 2.39 -0.87 4.03 3.01 -1.26 -2.11 117.46 121.71 2ja6 n PHE 104 Ca -0.05 -3.93 -0.33 0.00 1.01 0.00 0.00 57.45 54.15 2ja6 n PHE 104 Cb 0.60 -0.47 0.13 0.00 -0.01 0.00 0.00 39.48 39.73 2ja6 n PHE 104 CO 0.00 0.00 0.00 -1.91 1.01 0.00 0.00 176.76 175.86 2ja6 n GLU 105 N 0.44 -0.19 -3.90 -1.08 2.13 -0.91 -4.84 120.64 112.30 2ja6 n GLU 105 Ca 0.28 0.00 -0.30 0.00 0.66 0.00 0.00 57.16 57.80 2ja6 n GLU 105 Cb 0.48 -2.11 -0.14 0.00 0.27 0.00 0.00 31.44 29.94 2ja6 n GLU 105 CO 0.00 0.00 0.00 -1.21 -0.41 0.00 0.00 177.13 175.51 2ja6 s GLU 106 N -3.91 1.87 -0.80 5.31 2.02 -1.26 -2.53 118.70 119.40 2ja6 s GLU 106 Ca 0.64 -2.54 -0.22 0.00 0.02 0.00 0.00 54.97 52.87 2ja6 s GLU 106 Cb -0.25 -3.13 -0.15 0.00 0.10 0.00 0.00 34.13 30.70 2ja6 s GLU 106 CO 0.61 -1.13 1.94 0.28 0.02 0.00 0.00 175.26 176.98 2ja6 n VAL 107 N 3.14 1.88 -0.76 2.63 0.31 0.15 -4.88 118.33 120.80 2ja6 n VAL 107 Ca 0.06 -1.64 0.05 0.00 -0.01 0.00 0.00 64.34 62.81 2ja6 n VAL 107 Cb 0.33 -2.33 -0.02 0.00 -0.91 0.00 0.00 33.84 30.91 2ja6 n VAL 107 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 2ja6 n SER 108 N 7.41 -2.48 0.00 4.52 3.41 -1.26 -4.27 113.62 120.95 2ja6 n SER 108 Ca 0.50 0.29 0.00 0.00 -0.26 0.00 0.00 58.87 59.40 2ja6 n SER 108 Cb 0.40 -2.38 0.00 0.00 -0.26 0.00 0.00 64.21 61.98 2ja6 n SER 108 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2ja6 n LYS 109 N -2.60 0.00 -2.77 4.33 5.02 -1.26 -1.60 118.16 119.28 2ja6 n LYS 109 Ca -0.01 0.00 -0.34 0.00 -2.02 0.00 0.00 58.31 55.94 2ja6 n LYS 109 Cb 0.55 0.00 -0.01 0.00 -0.02 0.00 0.00 35.03 35.55 2ja6 n LYS 109 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 2ja6 n ASP 110 N -0.23 6.01 -3.93 4.39 5.75 -1.26 -4.95 116.55 122.32 2ja6 n ASP 110 Ca 0.00 -3.69 -0.30 0.00 -0.01 0.00 0.00 54.79 50.78 2ja6 n ASP 110 Cb 0.00 -0.88 -0.15 0.00 -1.03 0.00 0.00 41.12 39.06 2ja6 n ASP 110 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 2ja6 s LEU 111 N -3.93 2.79 -0.18 -2.12 1.43 -0.62 -4.68 118.68 111.37 2ja6 s LEU 111 Ca 0.44 -1.33 -0.04 0.00 -1.03 0.00 0.00 54.13 52.17 2ja6 s LEU 111 Cb 0.24 -1.21 -0.02 0.00 0.03 0.00 0.00 46.19 45.23 2ja6 s LEU 111 CO -0.14 -0.27 -0.03 -0.63 0.23 0.00 0.00 176.35 175.52 2ja6 s ILE 112 N 1.35 3.75 -0.09 -0.59 1.01 -1.17 0.31 121.20 125.78 2ja6 s ILE 112 Ca -0.03 -0.39 0.04 0.00 0.00 0.00 0.00 60.65 60.27 2ja6 s ILE 112 Cb -0.19 -2.67 0.00 0.00 0.01 0.00 0.00 42.46 39.61 2ja6 s ILE 112 CO -0.08 0.46 -0.20 0.00 0.00 0.00 0.00 174.94 175.11 2ja6 s ALA 113 N 0.83 1.89 -0.04 9.38 0.00 -1.05 -3.11 121.76 129.66 2ja6 s ALA 113 Ca -0.01 -0.80 0.01 0.00 0.00 0.00 0.00 51.96 51.17 2ja6 s ALA 113 Cb -0.14 -0.73 -0.03 0.00 0.00 0.00 0.00 23.12 22.21 2ja6 s ALA 113 CO 0.02 0.24 -0.06 0.14 0.00 0.00 0.00 175.76 176.10 2ja6 s VAL 114 N 0.43 3.74 0.09 0.00 -7.23 -0.94 -2.13 120.40 114.36 2ja6 s VAL 114 Ca -0.17 -0.57 -0.03 0.00 -1.81 0.00 0.00 61.98 59.40 2ja6 s VAL 114 Cb -0.17 -2.57 -0.05 0.00 0.56 0.00 0.00 36.38 34.15 2ja6 s VAL 114 CO 0.07 0.52 0.29 -0.31 -0.31 0.00 0.00 175.10 175.37 2ja6 s TYR 115 N -0.89 3.50 0.06 2.82 1.51 -0.90 -1.90 117.35 121.55 2ja6 s TYR 115 Ca 0.14 0.43 0.03 0.00 -1.01 0.00 0.00 57.07 56.66 2ja6 s TYR 115 Cb -0.11 -1.90 -0.03 0.00 -0.11 0.00 0.00 41.96 39.81 2ja6 s TYR 115 CO 0.04 0.52 -0.10 0.71 -1.11 0.00 0.00 175.55 175.61 2ja6 s TYR 116 N -1.56 0.87 -0.06 2.71 1.51 0.65 -3.28 117.35 118.19 2ja6 s TYR 116 Ca 0.37 -0.51 -0.02 0.00 -1.01 0.00 0.00 57.07 55.90 2ja6 s TYR 116 Cb -0.13 -0.50 0.04 0.00 -0.11 0.00 0.00 41.96 41.26 2ja6 s TYR 116 CO 0.25 -0.04 0.11 0.45 -1.11 0.00 0.00 175.55 175.21 2ja6 s SER 117 N -1.73 0.53 -0.74 2.29 0.15 0.24 0.31 113.70 114.76 2ja6 s SER 117 Ca -0.06 0.21 -0.06 0.00 0.70 0.00 0.00 55.95 56.74 2ja6 s SER 117 Cb -0.09 0.09 0.19 0.00 -1.71 0.00 0.00 66.02 64.50 2ja6 s SER 117 CO 0.01 -0.20 0.60 -0.36 1.20 0.00 0.00 173.24 174.49 2ja6 s PHE 118 N 1.80 3.59 -1.16 3.44 0.40 0.84 0.11 117.98 127.01 2ja6 s PHE 118 Ca -0.01 -2.55 -0.14 0.00 -0.60 0.00 0.00 56.93 53.62 2ja6 s PHE 118 Cb -0.12 -3.40 0.14 0.00 0.51 0.00 0.00 43.02 40.15 2ja6 s PHE 118 CO -0.05 -0.87 0.38 0.41 0.70 0.00 0.00 175.22 175.79 2ja6 n GLY 119 N 3.43 -0.44 0.00 4.36 0.00 -1.26 -1.08 105.19 110.20 2ja6 n GLY 119 Ca 0.12 0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.19 2ja6 n GLY 119 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ja6 n GLY 120 N -0.86 1.59 3.40 -0.02 0.00 -1.26 -5.08 105.19 102.96 2ja6 n GLY 120 Ca 0.07 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 2ja6 n GLY 120 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2ja6 s LEU 121 N 0.00 4.90 1.03 0.99 1.43 -0.24 -5.07 118.68 121.72 2ja6 s LEU 121 Ca 0.00 -0.99 -0.17 0.00 -1.03 0.00 0.00 54.13 51.94 2ja6 s LEU 121 Cb 0.00 -2.07 0.23 0.00 0.03 0.00 0.00 46.19 44.38 2ja6 s LEU 121 CO 0.00 -0.42 1.28 -0.76 0.23 0.00 0.00 176.35 176.68 2ja6 s LEU 122 N 1.59 2.20 -0.20 1.79 1.43 -1.26 -0.11 118.68 124.13 2ja6 s LEU 122 Ca 0.03 0.33 -0.30 0.00 -1.03 0.00 0.00 54.13 53.16 2ja6 s LEU 122 Cb -0.19 -2.26 0.15 0.00 0.03 0.00 0.00 46.19 43.91 2ja6 s LEU 122 CO 0.08 -3.13 1.11 -0.32 0.23 0.00 0.00 176.35 174.31 2ja6 s MET 123 N -5.79 0.43 -0.02 1.70 -2.45 0.15 -2.33 119.30 111.00 2ja6 s MET 123 Ca 0.74 0.12 -0.00 0.00 -1.25 0.00 0.00 55.69 55.30 2ja6 s MET 123 Cb -0.05 0.20 0.02 0.00 1.25 0.00 0.00 34.83 36.26 2ja6 s MET 123 CO 0.54 -0.13 0.03 0.50 1.05 0.00 0.00 175.02 177.01 2ja6 s ARG 124 N -1.03 -0.01 0.02 4.11 3.52 0.27 -0.25 118.95 125.58 2ja6 s ARG 124 Ca 0.01 0.14 0.07 0.00 -0.13 0.00 0.00 55.73 55.82 2ja6 s ARG 124 Cb -0.01 -0.15 -0.02 0.00 -1.56 0.00 0.00 34.95 33.22 2ja6 s ARG 124 CO -0.02 -0.10 -0.20 -1.17 -0.81 0.00 0.00 175.30 173.00 2ja6 s LEU 125 N 0.67 2.12 -0.03 -0.88 2.96 -0.80 -1.07 118.68 121.65 2ja6 s LEU 125 Ca -0.06 -0.45 0.01 0.00 -0.22 0.00 0.00 54.13 53.41 2ja6 s LEU 125 Cb -0.08 -0.97 0.02 0.00 0.50 0.00 0.00 46.19 45.66 2ja6 s LEU 125 CO -0.02 0.19 -0.02 -0.70 -1.32 0.00 0.00 176.35 174.48 2ja6 s GLU 126 N -0.89 0.47 0.00 1.98 2.12 -0.87 -2.23 118.70 119.29 2ja6 s GLU 126 Ca 0.07 0.00 0.00 0.00 0.36 0.00 0.00 54.97 55.41 2ja6 s GLU 126 Cb -0.08 -0.58 0.00 0.00 0.26 0.00 0.00 34.13 33.73 2ja6 s GLU 126 CO 0.01 -0.10 0.00 0.41 -0.54 0.00 0.00 175.26 175.04 2ja6 n GLY 127 N 4.03 -0.10 0.00 -1.50 0.00 -1.18 -2.06 105.19 104.37 2ja6 n GLY 127 Ca -0.26 0.54 0.00 0.00 0.00 0.00 0.00 46.02 46.31 2ja6 n GLY 127 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2ja6 n ASN 128 N 0.00 0.00 -0.82 1.61 2.85 -1.26 -3.03 115.26 114.61 2ja6 n ASN 128 Ca 0.00 0.00 0.07 0.00 -0.11 0.00 0.00 54.58 54.54 2ja6 n ASN 128 Cb 0.00 0.00 0.18 0.00 1.24 0.00 0.00 39.78 41.20 2ja6 n ASN 128 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2ja6 n TYR 129 N 0.00 0.53 -1.45 1.20 0.18 -1.26 -4.58 117.16 111.78 2ja6 n TYR 129 Ca 0.00 -0.42 -0.32 0.00 1.88 0.00 0.00 57.90 59.03 2ja6 n TYR 129 Cb 0.00 -0.02 0.04 0.00 -0.38 0.00 0.00 39.34 38.99 2ja6 n TYR 129 CO 0.00 0.00 0.00 0.54 -2.08 0.00 0.00 176.86 175.32 2ja6 n ARG 130 N 0.86 2.52 -0.12 -3.48 3.00 -1.26 -4.62 116.66 113.56 2ja6 n ARG 130 Ca 0.15 -2.94 0.04 0.00 -0.01 0.00 0.00 57.85 55.09 2ja6 n ARG 130 Cb 0.47 -2.15 0.35 0.00 0.00 0.00 0.00 32.46 31.13 2ja6 n ARG 130 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.63 176.72 2ja6 h ASN 131 N 2.33 0.65 0.00 0.55 2.35 -1.93 -2.69 115.58 116.84 2ja6 h ASN 131 Ca 0.52 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 56.25 2ja6 h ASN 131 Cb 0.59 -0.15 0.00 0.00 0.05 0.00 0.00 38.32 38.81 2ja6 h ASN 131 CO 1.32 0.45 -0.01 0.18 -1.65 0.00 0.00 177.43 177.72 2ja6 n LEU 132 N -4.46 2.07 -0.04 1.61 4.77 -1.26 -4.80 117.00 114.90 2ja6 n LEU 132 Ca 0.07 -2.46 -0.09 0.00 -0.03 0.00 0.00 56.01 53.50 2ja6 n LEU 132 Cb 0.11 -0.21 -0.03 0.00 -2.33 0.00 0.00 43.42 40.96 2ja6 n LEU 132 CO 0.35 0.58 -0.66 0.59 -1.33 0.00 0.00 177.39 176.92 2ja6 n ASN 133 N -0.93 1.01 -4.55 -1.43 3.02 -1.09 -4.92 115.26 106.36 2ja6 n ASN 133 Ca 0.08 0.16 -0.40 0.00 -0.03 0.00 0.00 54.58 54.39 2ja6 n ASN 133 Cb 0.46 -0.39 -0.03 0.00 -0.61 0.00 0.00 39.78 39.21 2ja6 n ASN 133 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 2ja6 s ASN 134 N -5.98 6.04 0.93 6.41 3.84 -1.04 -4.89 114.94 120.25 2ja6 s ASN 134 Ca -0.14 -0.46 0.00 0.00 0.21 0.00 0.00 52.86 52.47 2ja6 s ASN 134 Cb 0.04 -2.56 0.00 0.00 -0.55 0.00 0.00 41.25 38.19 2ja6 s ASN 134 CO 0.18 -1.91 0.00 0.18 -2.79 0.00 0.00 177.10 172.77 2ja6 n LEU 135 N 9.97 0.00 0.00 3.21 4.77 -1.26 -4.95 117.00 128.73 2ja6 n LEU 135 Ca 0.10 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.08 2ja6 n LEU 135 Cb 0.50 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.59 2ja6 n LEU 135 CO 0.70 -1.32 0.22 0.29 -1.33 0.00 0.00 177.39 175.96 2ja6 n LYS 136 N -1.75 -0.74 -1.02 3.23 5.02 -1.26 -5.07 118.16 116.57 2ja6 n LYS 136 Ca 0.00 -0.47 -0.30 0.00 -2.02 0.00 0.00 58.31 55.53 2ja6 n LYS 136 Cb 0.00 -0.93 0.23 0.00 -0.02 0.00 0.00 35.03 34.31 2ja6 n LYS 136 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 2ja6 s GLN 137 N -0.03 -1.04 -0.03 1.97 -0.21 -1.26 -4.85 119.66 114.22 2ja6 s GLN 137 Ca 0.00 0.09 -0.13 0.00 0.02 0.00 0.00 55.36 55.34 2ja6 s GLN 137 Cb 0.00 -1.60 -0.07 0.00 1.00 0.00 0.00 33.01 32.33 2ja6 s GLN 137 CO 0.00 -3.62 0.62 1.49 -2.12 0.00 0.00 175.29 171.65 2ja6 h GLU 138 N -2.52 -0.45 -4.35 2.91 4.81 -1.90 -3.37 114.58 109.71 2ja6 h GLU 138 Ca -0.48 0.03 -0.57 0.00 -0.13 0.00 0.00 59.36 58.21 2ja6 h GLU 138 Cb 1.31 0.10 0.04 0.00 0.63 0.00 0.00 28.75 30.83 2ja6 h GLU 138 CO 0.39 -0.30 0.05 0.09 -0.73 0.00 0.00 179.01 178.51 2ja6 n ASN 139 N -4.57 0.01 0.00 1.04 3.02 -1.26 -4.19 115.26 109.31 2ja6 n ASN 139 Ca -0.06 0.84 0.00 0.00 -0.03 0.00 0.00 54.58 55.33 2ja6 n ASN 139 Cb 0.19 -0.67 0.00 0.00 -0.61 0.00 0.00 39.78 38.69 2ja6 n ASN 139 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2ja6 n ALA 140 N 1.13 0.00 -1.77 5.41 0.00 -1.26 -4.82 120.51 119.20 2ja6 n ALA 140 Ca 0.15 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.20 2ja6 n ALA 140 Cb 0.06 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.47 2ja6 n ALA 140 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 2ja6 s TYR 141 N 0.00 3.38 0.24 0.00 1.51 -0.89 -3.79 117.35 117.80 2ja6 s TYR 141 Ca 0.00 1.65 0.08 0.00 -1.01 0.00 0.00 57.07 57.79 2ja6 s TYR 141 Cb 0.00 -3.26 -0.04 0.00 -0.11 0.00 0.00 41.96 38.55 2ja6 s TYR 141 CO 0.00 -0.73 0.08 -1.17 -1.11 0.00 0.00 175.55 172.62 2ja6 s LEU 142 N -2.02 3.46 -0.04 -1.29 2.96 -0.65 -4.00 118.68 117.10 2ja6 s LEU 142 Ca 0.51 -0.44 -0.09 0.00 -0.22 0.00 0.00 54.13 53.89 2ja6 s LEU 142 Cb -0.29 -2.01 0.01 0.00 0.50 0.00 0.00 46.19 44.40 2ja6 s LEU 142 CO 0.36 0.00 0.22 -0.76 -1.32 0.00 0.00 176.35 174.85 2ja6 s LEU 143 N -3.60 1.22 -0.02 -0.68 1.02 -1.14 -2.50 118.68 112.98 2ja6 s LEU 143 Ca 0.31 0.12 -0.02 0.00 0.02 0.00 0.00 54.13 54.57 2ja6 s LEU 143 Cb -0.08 0.86 0.01 0.00 0.02 0.00 0.00 46.19 47.00 2ja6 s LEU 143 CO 0.22 -0.28 0.06 -0.63 0.02 0.00 0.00 176.35 175.74 2ja6 s ILE 144 N -0.79 0.00 0.03 -0.59 1.01 -0.02 -2.48 121.20 118.37 2ja6 s ILE 144 Ca -0.09 -0.02 0.01 0.00 0.00 0.00 0.00 60.65 60.55 2ja6 s ILE 144 Cb -0.05 -0.10 -0.02 0.00 0.01 0.00 0.00 42.46 42.30 2ja6 s ILE 144 CO 0.02 -0.01 -0.05 0.00 0.00 0.00 0.00 174.94 174.90 2ja6 s ARG 145 N -0.01 0.44 0.00 2.79 1.70 -1.21 0.60 118.95 123.26 2ja6 s ARG 145 Ca -0.00 -0.76 0.00 0.00 -0.47 0.00 0.00 55.73 54.49 2ja6 s ARG 145 Cb -0.01 -0.04 0.00 0.00 -0.57 0.00 0.00 34.95 34.34 2ja6 s ARG 145 CO 0.00 -0.02 0.00 0.54 -1.08 0.00 0.00 175.30 174.74