#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ja8 s ASN 3 N 0.00 2.26 0.50 4.04 0.01 -1.26 -4.87 114.94 115.62 2ja8 s ASN 3 Ca 0.00 -1.53 0.05 0.00 -0.71 0.00 0.00 52.86 50.66 2ja8 s ASN 3 Cb 0.00 0.27 0.03 0.00 0.41 0.00 0.00 41.25 41.96 2ja8 s ASN 3 CO 0.00 -0.81 0.69 -0.89 -1.51 0.00 0.00 177.10 174.59 2ja8 s THR 4 N -3.37 2.76 0.00 1.60 2.01 -1.26 -4.18 115.64 113.20 2ja8 s THR 4 Ca 0.31 -0.83 0.00 0.00 0.31 0.00 0.00 61.69 61.48 2ja8 s THR 4 Cb 0.05 -2.93 0.00 0.00 0.01 0.00 0.00 72.50 69.64 2ja8 s THR 4 CO 0.15 0.00 0.08 0.18 -0.69 0.00 0.00 174.62 174.34 2ja8 n LEU 5 N -2.14 0.11 -3.64 4.42 4.77 -1.26 -4.78 117.00 114.49 2ja8 n LEU 5 Ca 0.09 -0.11 -0.07 0.00 -0.03 0.00 0.00 56.01 55.89 2ja8 n LEU 5 Cb 0.60 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.62 2ja8 n LEU 5 CO 0.42 0.03 0.89 0.12 -1.33 0.00 0.00 177.39 177.52 2ja8 s PHE 6 N -0.00 -0.33 -0.07 -1.77 5.36 -1.26 -4.56 117.98 115.34 2ja8 s PHE 6 Ca 0.00 0.80 -0.04 0.00 -0.96 0.00 0.00 56.93 56.72 2ja8 s PHE 6 Cb 0.00 0.40 0.03 0.00 -0.34 0.00 0.00 43.02 43.12 2ja8 s PHE 6 CO 0.00 -0.16 0.17 0.34 -1.46 0.00 0.00 175.22 174.12 2ja8 s ASP 7 N 0.17 -0.16 0.00 6.13 -1.08 -1.26 -3.32 116.67 117.15 2ja8 s ASP 7 Ca 0.05 0.36 0.00 0.00 -0.52 0.00 0.00 52.55 52.43 2ja8 s ASP 7 Cb -0.05 0.29 0.00 0.00 -1.46 0.00 0.00 42.92 41.70 2ja8 s ASP 7 CO -0.10 -0.12 0.00 -0.67 0.52 0.00 0.00 175.17 174.80 2ja8 n ASP 8 N 3.77 0.00 -4.15 -0.34 2.03 -1.09 -5.03 116.55 111.74 2ja8 n ASP 8 Ca -0.21 0.00 -0.26 0.00 0.52 0.00 0.00 54.79 54.84 2ja8 n ASP 8 Cb 0.55 0.00 -0.16 0.00 -0.72 0.00 0.00 41.12 40.79 2ja8 n ASP 8 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 2ja8 s ILE 9 N -2.00 1.44 0.29 5.18 1.01 -1.26 -1.59 121.20 124.27 2ja8 s ILE 9 Ca 0.00 -0.74 0.05 0.00 0.00 0.00 0.00 60.65 59.96 2ja8 s ILE 9 Cb 0.00 -1.22 -0.06 0.00 0.01 0.00 0.00 42.46 41.19 2ja8 s ILE 9 CO 0.00 0.41 -0.01 -0.36 0.00 0.00 0.00 174.94 174.98 2ja8 s PHE 10 N -0.14 1.90 -0.07 3.97 0.40 0.97 -2.25 117.98 122.76 2ja8 s PHE 10 Ca 0.00 -0.82 0.02 0.00 -0.60 0.00 0.00 56.93 55.53 2ja8 s PHE 10 Cb -0.10 -1.16 0.01 0.00 0.51 0.00 0.00 43.02 42.29 2ja8 s PHE 10 CO 0.01 0.14 -0.12 -1.14 0.70 0.00 0.00 175.22 174.80 2ja8 s GLN 11 N -3.81 1.73 -0.28 0.44 0.74 -0.44 -1.62 119.66 116.41 2ja8 s GLN 11 Ca 0.32 -0.42 -0.29 0.00 0.05 0.00 0.00 55.36 55.02 2ja8 s GLN 11 Cb 0.06 -1.43 -0.02 0.00 1.10 0.00 0.00 33.01 32.72 2ja8 s GLN 11 CO 0.13 0.02 1.62 0.08 -0.55 0.00 0.00 175.29 176.59 2ja8 s VAL 12 N 0.68 3.69 0.16 1.34 1.01 -1.21 -1.59 120.40 124.48 2ja8 s VAL 12 Ca -0.14 0.75 -0.03 0.00 0.00 0.00 0.00 61.98 62.56 2ja8 s VAL 12 Cb -0.16 -3.79 -0.12 0.00 0.00 0.00 0.00 36.38 32.31 2ja8 s VAL 12 CO 0.04 -0.40 1.40 0.77 0.00 0.00 0.00 175.10 176.91 2ja8 h SER 13 N 11.21 0.55 -2.96 3.32 4.64 -0.46 -0.10 113.55 129.75 2ja8 h SER 13 Ca -0.32 -0.37 0.10 0.00 -0.47 0.00 0.00 61.79 60.72 2ja8 h SER 13 Cb 1.15 -0.16 -0.28 0.00 -0.31 0.00 0.00 62.40 62.79 2ja8 h SER 13 CO 1.02 1.12 0.57 -0.70 -0.87 0.00 0.00 176.83 177.98 2ja8 s GLU 14 N -3.60 0.39 -0.13 4.77 2.12 -1.15 -4.82 118.70 116.28 2ja8 s GLU 14 Ca -0.06 0.44 -0.05 0.00 0.36 0.00 0.00 54.97 55.66 2ja8 s GLU 14 Cb 0.10 0.19 -0.04 0.00 0.26 0.00 0.00 34.13 34.64 2ja8 s GLU 14 CO 0.85 -0.05 0.04 0.08 -0.54 0.00 0.00 175.26 175.64 2ja8 s VAL 15 N 0.11 4.60 -0.10 3.70 1.01 -1.26 -2.90 120.40 125.55 2ja8 s VAL 15 Ca 0.04 -0.12 -0.00 0.00 0.00 0.00 0.00 61.98 61.90 2ja8 s VAL 15 Cb -0.05 -3.00 0.02 0.00 0.00 0.00 0.00 36.38 33.36 2ja8 s VAL 15 CO -0.08 0.55 -0.08 -0.62 0.00 0.00 0.00 175.10 174.87 2ja8 s ASP 16 N -0.38 2.09 -0.76 3.32 2.15 -0.78 -5.00 116.67 117.30 2ja8 s ASP 16 Ca 0.08 -0.29 0.03 0.00 0.43 0.00 0.00 52.55 52.80 2ja8 s ASP 16 Cb -0.12 -0.82 0.21 0.00 -0.30 0.00 0.00 42.92 41.89 2ja8 s ASP 16 CO 0.02 -0.10 0.69 -0.81 -0.17 0.00 0.00 175.17 174.80 2ja8 n PRO 17 N 4.78 2.37 -2.25 4.34 -0.04 -1.26 -1.50 135.00 141.45 2ja8 n PRO 17 Ca -0.14 -4.54 -0.43 0.00 -0.04 0.00 0.00 63.50 58.35 2ja8 n PRO 17 Cb 0.50 -2.33 0.00 0.00 -0.04 0.00 0.00 33.50 31.64 2ja8 n PRO 17 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2ja8 n GLY 18 N 1.72 3.46 2.14 0.55 0.00 -1.26 -4.17 105.19 107.62 2ja8 n GLY 18 Ca 0.23 -1.57 -0.07 0.00 0.00 0.00 0.00 46.02 44.61 2ja8 n GLY 18 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ja8 n ARG 19 N 7.13 -1.17 -3.34 1.61 1.74 -1.26 -5.00 116.66 116.38 2ja8 n ARG 19 Ca 0.49 0.30 -0.26 0.00 -0.77 0.00 0.00 57.85 57.61 2ja8 n ARG 19 Cb 0.43 -3.99 -0.08 0.00 -1.02 0.00 0.00 32.46 27.80 2ja8 n ARG 19 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 2ja8 n TYR 20 N -3.78 2.59 -0.37 -1.55 0.53 -1.26 -4.98 117.16 108.34 2ja8 n TYR 20 Ca -0.05 -3.99 0.29 0.00 -1.02 0.00 0.00 57.90 53.12 2ja8 n TYR 20 Cb 0.55 -0.50 0.44 0.00 -1.03 0.00 0.00 39.34 38.80 2ja8 n TYR 20 CO 0.00 0.00 0.00 0.09 -1.02 0.00 0.00 176.86 175.93 2ja8 n ASN 21 N 0.94 0.00 0.00 7.72 3.02 -1.26 -0.33 115.26 125.35 2ja8 n ASN 21 Ca 0.28 0.54 0.00 0.00 -0.03 0.00 0.00 54.58 55.37 2ja8 n ASN 21 Cb 0.44 -0.27 0.00 0.00 -0.61 0.00 0.00 39.78 39.35 2ja8 n ASN 21 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2ja8 n LYS 22 N -3.01 1.11 -3.77 3.52 5.02 -1.26 -4.98 118.16 114.80 2ja8 n LYS 22 Ca 0.24 -0.97 -0.13 0.00 -2.02 0.00 0.00 58.31 55.44 2ja8 n LYS 22 Cb 1.11 -0.93 -0.11 0.00 -0.02 0.00 0.00 35.03 35.07 2ja8 n LYS 22 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2ja8 s VAL 23 N -0.49 -0.01 0.08 -0.18 1.01 0.54 -2.50 120.40 118.85 2ja8 s VAL 23 Ca 0.00 0.02 0.06 0.00 0.00 0.00 0.00 61.98 62.06 2ja8 s VAL 23 Cb 0.00 -0.41 -0.03 0.00 0.00 0.00 0.00 36.38 35.94 2ja8 s VAL 23 CO 0.00 0.01 -0.15 0.00 0.00 0.00 0.00 175.10 174.95 2ja8 s ARG 25 N -1.78 4.19 0.17 0.00 3.52 -0.56 0.69 118.95 125.18 2ja8 s ARG 25 Ca -0.00 -0.05 0.08 0.00 -0.13 0.00 0.00 55.73 55.63 2ja8 s ARG 25 Cb -0.10 -3.47 -0.04 0.00 -1.56 0.00 0.00 34.95 29.78 2ja8 s ARG 25 CO 0.03 0.17 -0.05 0.42 -0.81 0.00 0.00 175.30 175.05 2ja8 s ILE 26 N 0.70 3.43 -0.05 4.11 1.01 0.11 -1.87 121.20 128.65 2ja8 s ILE 26 Ca 0.13 -1.54 -0.02 0.00 0.00 0.00 0.00 60.65 59.22 2ja8 s ILE 26 Cb -0.13 -2.71 0.03 0.00 0.01 0.00 0.00 42.46 39.66 2ja8 s ILE 26 CO 0.03 -0.10 0.05 -1.61 0.00 0.00 0.00 174.94 173.31 2ja8 s GLU 27 N -2.85 0.07 0.39 2.79 2.02 -1.14 0.04 118.70 120.02 2ja8 s GLU 27 Ca 0.26 0.31 0.05 0.00 0.02 0.00 0.00 54.97 55.61 2ja8 s GLU 27 Cb -0.09 -0.59 -0.02 0.00 0.10 0.00 0.00 34.13 33.52 2ja8 s GLU 27 CO 0.17 -0.31 0.18 0.00 0.02 0.00 0.00 175.26 175.31 2ja8 s ALA 28 N 2.06 2.64 0.28 5.21 0.00 -0.82 0.33 121.76 131.46 2ja8 s ALA 28 Ca 0.04 -1.44 0.04 0.00 0.00 0.00 0.00 51.96 50.59 2ja8 s ALA 28 Cb -0.12 0.98 -0.06 0.00 0.00 0.00 0.00 23.12 23.92 2ja8 s ALA 28 CO -0.03 -0.44 0.03 0.00 0.00 0.00 0.00 175.76 175.32 2ja8 s ALA 29 N -3.27 2.07 -0.06 0.00 0.00 -0.62 -1.61 121.76 118.27 2ja8 s ALA 29 Ca 0.28 -1.91 -0.15 0.00 0.00 0.00 0.00 51.96 50.18 2ja8 s ALA 29 Cb 0.02 0.61 -0.05 0.00 0.00 0.00 0.00 23.12 23.70 2ja8 s ALA 29 CO 0.19 -0.29 0.39 0.45 0.00 0.00 0.00 175.76 176.50 2ja8 s SER 30 N -3.39 6.70 -1.29 0.00 0.15 -0.68 -1.33 113.70 113.86 2ja8 s SER 30 Ca 0.33 0.83 -0.05 0.00 0.70 0.00 0.00 55.95 57.76 2ja8 s SER 30 Cb 0.07 -2.24 0.12 0.00 -1.71 0.00 0.00 66.02 62.26 2ja8 s SER 30 CO 0.12 0.22 2.39 0.41 1.20 0.00 0.00 173.24 177.58 2ja8 n THR 31 N 2.53 5.20 0.00 6.45 -1.04 -0.95 -4.50 114.28 121.97 2ja8 n THR 31 Ca -0.12 -4.32 0.00 0.00 -2.04 0.00 0.00 64.05 57.57 2ja8 n THR 31 Cb 0.52 -2.04 0.00 0.00 -1.82 0.00 0.00 70.33 66.99 2ja8 n THR 31 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 2ja8 n THR 32 N 1.65 0.00 -2.10 12.58 -1.04 -1.26 -4.94 114.28 119.16 2ja8 n THR 32 Ca 0.62 0.00 -0.41 0.00 -2.04 0.00 0.00 64.05 62.22 2ja8 n THR 32 Cb 0.26 0.00 -0.02 0.00 -1.82 0.00 0.00 70.33 68.75 2ja8 n THR 32 CO 0.00 0.00 0.00 -1.10 -0.64 0.00 0.00 175.07 173.33 2ja8 s GLN 33 N 1.78 4.35 -0.01 -2.82 1.11 -1.26 -4.87 119.66 117.94 2ja8 s GLN 33 Ca 0.00 2.23 0.02 0.00 0.01 0.00 0.00 55.36 57.62 2ja8 s GLN 33 Cb 0.00 -3.07 0.09 0.00 -1.01 0.00 0.00 33.01 29.01 2ja8 s GLN 33 CO 0.00 -0.21 0.93 -0.25 0.01 0.00 0.00 175.29 175.78 2ja8 n ASP 34 N 0.88 0.83 -0.13 5.90 8.00 -1.26 -3.54 116.55 127.23 2ja8 n ASP 34 Ca 0.00 -2.04 -0.21 0.00 0.71 0.00 0.00 54.79 53.25 2ja8 n ASP 34 Cb 0.42 -0.21 -0.11 0.00 -0.02 0.00 0.00 41.12 41.19 2ja8 n ASP 34 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2ja8 n GLN 35 N -0.14 0.63 -1.79 -1.24 6.02 -1.26 -4.92 117.38 114.69 2ja8 n GLN 35 Ca 0.03 0.18 -0.31 0.00 -0.01 0.00 0.00 57.00 56.89 2ja8 n GLN 35 Cb 0.17 -1.51 -0.04 0.00 1.02 0.00 0.00 30.24 29.88 2ja8 n GLN 35 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2ja8 s LYS 37 N 7.81 2.74 0.02 0.00 1.02 -1.01 -1.68 119.74 128.63 2ja8 s LYS 37 Ca 0.83 -1.05 0.01 0.00 0.02 0.00 0.00 55.97 55.78 2ja8 s LYS 37 Cb -0.13 -2.50 -0.01 0.00 -0.52 0.00 0.00 37.83 34.67 2ja8 s LYS 37 CO 0.16 0.43 -0.05 -1.17 -0.92 0.00 0.00 175.35 173.81 2ja8 s LEU 38 N -3.40 2.13 -0.19 3.17 2.96 -0.63 -1.89 118.68 120.82 2ja8 s LEU 38 Ca 0.31 -0.29 -0.05 0.00 -0.22 0.00 0.00 54.13 53.88 2ja8 s LEU 38 Cb -0.09 -0.13 0.07 0.00 0.50 0.00 0.00 46.19 46.54 2ja8 s LEU 38 CO 0.23 -0.10 0.10 -0.89 -1.32 0.00 0.00 176.35 174.37 2ja8 s THR 39 N -0.74 -0.07 -0.06 3.68 2.01 0.07 -1.94 115.64 118.58 2ja8 s THR 39 Ca -0.05 -0.27 -0.03 0.00 0.31 0.00 0.00 61.69 61.64 2ja8 s THR 39 Cb -0.06 -0.65 0.04 0.00 0.01 0.00 0.00 72.50 71.84 2ja8 s THR 39 CO -0.00 -0.36 0.15 -0.22 -0.69 0.00 0.00 174.62 173.50 2ja8 s LEU 40 N 2.13 0.81 0.66 4.42 2.96 0.11 0.17 118.68 129.92 2ja8 s LEU 40 Ca 0.03 0.30 -0.15 0.00 -0.22 0.00 0.00 54.13 54.09 2ja8 s LEU 40 Cb -0.16 0.38 -0.00 0.00 0.50 0.00 0.00 46.19 46.91 2ja8 s LEU 40 CO -0.14 -0.14 1.10 -1.81 -1.32 0.00 0.00 176.35 174.04 2ja8 s ASP 41 N 1.04 5.19 -0.28 3.68 1.01 -0.75 0.09 116.67 126.65 2ja8 s ASP 41 Ca -0.08 1.95 -0.16 0.00 0.71 0.00 0.00 52.55 54.97 2ja8 s ASP 41 Cb -0.10 -2.54 0.09 0.00 1.01 0.00 0.00 42.92 41.37 2ja8 s ASP 41 CO -0.05 -1.58 0.72 -0.63 0.21 0.00 0.00 175.17 173.84 2ja8 s ILE 42 N -2.41 -0.02 -0.60 0.77 1.01 0.22 -4.81 121.20 115.36 2ja8 s ILE 42 Ca 0.66 0.00 -0.26 0.00 0.00 0.00 0.00 60.65 61.05 2ja8 s ILE 42 Cb -0.19 -1.00 -0.10 0.00 0.01 0.00 0.00 42.46 41.18 2ja8 s ILE 42 CO 0.42 0.00 2.42 -3.20 0.00 0.00 0.00 174.94 174.58 2ja8 n ASN 43 N 4.28 2.13 -1.51 3.58 2.85 -1.26 -2.12 115.26 123.20 2ja8 n ASN 43 Ca -0.20 -0.85 -0.03 0.00 -0.11 0.00 0.00 54.58 53.39 2ja8 n ASN 43 Cb 0.59 -1.61 0.01 0.00 1.24 0.00 0.00 39.78 40.00 2ja8 n ASN 43 CO 0.00 0.00 0.00 0.52 -2.11 0.00 0.00 177.26 175.67 2ja8 n VAL 44 N 8.28 2.02 0.00 3.44 0.31 -1.04 -2.81 118.33 128.53 2ja8 n VAL 44 Ca 0.41 -0.64 0.00 0.00 -0.01 0.00 0.00 64.34 64.10 2ja8 n VAL 44 Cb 0.51 -1.41 0.00 0.00 -0.91 0.00 0.00 33.84 32.02 2ja8 n VAL 44 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 2ja8 n GLU 45 N 1.19 0.81 0.03 5.55 2.13 -1.26 -4.49 120.64 124.60 2ja8 n GLU 45 Ca 0.05 0.00 0.11 0.00 0.66 0.00 0.00 57.16 57.98 2ja8 n GLU 45 Cb 0.52 -0.73 -0.07 0.00 0.27 0.00 0.00 31.44 31.43 2ja8 n GLU 45 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 2ja8 n LEU 46 N -1.63 0.44 -2.97 4.31 4.77 -1.21 -4.63 117.00 116.09 2ja8 n LEU 46 Ca 0.00 0.05 -0.14 0.00 -0.03 0.00 0.00 56.01 55.89 2ja8 n LEU 46 Cb 0.23 -0.04 -0.01 0.00 -2.33 0.00 0.00 43.42 41.27 2ja8 n LEU 46 CO 0.00 -0.03 -0.03 0.33 -1.33 0.00 0.00 177.39 176.34 2ja8 n PHE 47 N -2.25 -2.33 -0.81 -1.77 7.35 -1.12 -5.05 117.46 111.47 2ja8 n PHE 47 Ca -0.01 -2.36 -0.33 0.00 -0.76 0.00 0.00 57.45 53.98 2ja8 n PHE 47 Cb 0.52 0.86 0.12 0.00 0.35 0.00 0.00 39.48 41.32 2ja8 n PHE 47 CO 0.00 0.00 0.00 -2.30 -0.76 0.00 0.00 176.76 173.70 2ja8 n PRO 48 N 2.09 -0.39 -3.66 -7.13 -0.02 -1.26 -4.51 135.00 120.12 2ja8 n PRO 48 Ca 0.18 -0.08 -0.06 0.00 -2.02 0.00 0.00 63.50 61.52 2ja8 n PRO 48 Cb 0.56 -1.73 -0.07 0.00 -0.02 0.00 0.00 33.50 32.24 2ja8 n PRO 48 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2ja8 s VAL 49 N -2.33 -0.57 0.29 -1.45 1.01 -1.26 -5.03 120.40 111.06 2ja8 s VAL 49 Ca 0.55 0.07 0.08 0.00 0.00 0.00 0.00 61.98 62.68 2ja8 s VAL 49 Cb -0.19 -0.84 -0.04 0.00 0.00 0.00 0.00 36.38 35.31 2ja8 s VAL 49 CO 0.69 0.03 0.12 0.00 0.00 0.00 0.00 175.10 175.94 2ja8 s ALA 50 N 2.37 3.43 0.26 5.51 0.00 -1.26 -4.97 121.76 127.10 2ja8 s ALA 50 Ca -0.06 -1.64 -0.29 0.00 0.00 0.00 0.00 51.96 49.96 2ja8 s ALA 50 Cb -0.10 -0.93 -0.14 0.00 0.00 0.00 0.00 23.12 21.94 2ja8 s ALA 50 CO -0.16 0.17 1.09 0.00 0.00 0.00 0.00 175.76 176.86 2ja8 n ALA 51 N -1.09 -0.15 -2.71 0.00 0.00 -1.26 -4.31 120.51 110.99 2ja8 n ALA 51 Ca -0.05 0.41 -0.02 0.00 0.00 0.00 0.00 53.44 53.77 2ja8 n ALA 51 Cb 0.59 -2.06 -0.02 0.00 0.00 0.00 0.00 19.45 17.97 2ja8 n ALA 51 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2ja8 n GLN 52 N 1.07 -3.78 -3.97 0.00 6.02 -0.05 -4.97 117.38 111.70 2ja8 n GLN 52 Ca 0.11 2.95 -0.10 0.00 -0.01 0.00 0.00 57.00 59.95 2ja8 n GLN 52 Cb 0.30 -4.92 -0.07 0.00 1.02 0.00 0.00 30.24 26.57 2ja8 n GLN 52 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2ja8 s ASP 53 N -1.15 0.02 -1.06 1.08 1.01 -1.26 -4.84 116.67 110.47 2ja8 s ASP 53 Ca -0.12 -0.88 -0.05 0.00 0.71 0.00 0.00 52.55 52.21 2ja8 s ASP 53 Cb 0.01 0.45 0.29 0.00 1.01 0.00 0.00 42.92 44.68 2ja8 s ASP 53 CO 0.73 -0.92 1.31 -1.54 0.21 0.00 0.00 175.17 174.96 2ja8 n SER 54 N -0.24 5.93 -4.78 0.27 3.41 -1.26 -3.35 113.62 113.61 2ja8 n SER 54 Ca -0.07 -3.30 -0.37 0.00 -0.26 0.00 0.00 58.87 54.88 2ja8 n SER 54 Cb 0.63 -1.26 -0.06 0.00 -0.26 0.00 0.00 64.21 63.26 2ja8 n SER 54 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2ja8 s LEU 55 N -2.29 4.37 -0.32 1.04 1.43 -0.64 -4.71 118.68 117.57 2ja8 s LEU 55 Ca 0.31 1.79 -0.01 0.00 -1.03 0.00 0.00 54.13 55.20 2ja8 s LEU 55 Cb 0.01 -3.91 0.06 0.00 0.03 0.00 0.00 46.19 42.38 2ja8 s LEU 55 CO 0.04 -0.03 0.03 -0.89 0.23 0.00 0.00 176.35 175.72 2ja8 s THR 56 N -1.56 2.93 -0.10 5.49 2.01 -1.12 -0.02 115.64 123.26 2ja8 s THR 56 Ca 0.48 -1.57 -0.16 0.00 0.31 0.00 0.00 61.69 60.75 2ja8 s THR 56 Cb -0.19 -2.77 -0.05 0.00 0.01 0.00 0.00 72.50 69.51 2ja8 s THR 56 CO 0.24 -0.22 0.41 -0.69 -0.69 0.00 0.00 174.62 173.67 2ja8 s VAL 57 N 1.20 5.18 0.42 3.82 1.01 -0.62 -3.06 120.40 128.35 2ja8 s VAL 57 Ca -0.02 0.82 0.05 0.00 0.00 0.00 0.00 61.98 62.82 2ja8 s VAL 57 Cb -0.20 -3.74 -0.02 0.00 0.00 0.00 0.00 36.38 32.42 2ja8 s VAL 57 CO -0.02 0.40 0.17 -0.89 0.00 0.00 0.00 175.10 174.76 2ja8 s THR 58 N 0.18 0.42 0.00 3.92 2.01 -1.01 -2.66 115.64 118.49 2ja8 s THR 58 Ca 0.23 -2.00 0.00 0.00 0.31 0.00 0.00 61.69 60.23 2ja8 s THR 58 Cb -0.15 -2.30 0.00 0.00 0.01 0.00 0.00 72.50 70.06 2ja8 s THR 58 CO 0.09 0.00 0.00 -0.38 -0.69 0.00 0.00 174.62 173.64 2ja8 n ILE 59 N -0.92 0.00 -0.80 1.82 5.41 -1.21 -3.12 119.36 120.54 2ja8 n ILE 59 Ca -0.04 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.71 2ja8 n ILE 59 Cb 0.64 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.57 2ja8 n ILE 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2ja8 n ALA 60 N -3.00 -1.31 -3.76 -1.39 0.00 -1.25 -4.50 120.51 105.29 2ja8 n ALA 60 Ca 0.00 0.25 -0.33 0.00 0.00 0.00 0.00 53.44 53.35 2ja8 n ALA 60 Cb 0.00 -0.99 -0.09 0.00 0.00 0.00 0.00 19.45 18.37 2ja8 n ALA 60 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2ja8 s SER 61 N -4.00 5.34 0.00 0.00 1.04 -1.26 -2.18 113.70 112.64 2ja8 s SER 61 Ca 0.00 -3.56 0.00 0.00 0.48 0.00 0.00 55.95 52.87 2ja8 s SER 61 Cb 0.00 -1.79 0.00 0.00 0.10 0.00 0.00 66.02 64.33 2ja8 s SER 61 CO 0.00 -0.19 0.00 -1.54 0.98 0.00 0.00 173.24 172.49 2ja8 n SER 62 N 2.48 0.00 -1.78 7.02 3.41 -1.26 -4.52 113.62 118.97 2ja8 n SER 62 Ca 0.17 0.00 -0.04 0.00 -0.26 0.00 0.00 58.87 58.74 2ja8 n SER 62 Cb 0.36 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.25 2ja8 n SER 62 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2ja8 n LEU 63 N 0.00 4.59 -0.05 1.04 4.77 -1.26 -4.07 117.00 122.02 2ja8 n LEU 63 Ca 0.00 -2.40 -0.05 0.00 -0.03 0.00 0.00 56.01 53.53 2ja8 n LEU 63 Cb 0.00 -1.09 -0.02 0.00 -2.33 0.00 0.00 43.42 39.99 2ja8 n LEU 63 CO 0.00 1.10 -0.40 0.59 -1.33 0.00 0.00 177.39 177.35 2ja8 n ASN 64 N 1.99 1.18 -0.08 -1.43 3.02 -1.26 -4.24 115.26 114.44 2ja8 n ASN 64 Ca 0.16 0.20 -0.01 0.00 -0.03 0.00 0.00 54.58 54.90 2ja8 n ASN 64 Cb 0.59 -0.63 -0.00 0.00 -0.61 0.00 0.00 39.78 39.13 2ja8 n ASN 64 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 2ja8 n LEU 65 N -3.69 0.06 0.00 3.41 4.77 -1.26 -4.75 117.00 115.54 2ja8 n LEU 65 Ca -0.08 0.03 0.00 0.00 -0.03 0.00 0.00 56.01 55.92 2ja8 n LEU 65 Cb 0.31 -0.88 0.00 0.00 -2.33 0.00 0.00 43.42 40.52 2ja8 n LEU 65 CO 0.12 -0.18 0.00 0.41 -1.33 0.00 0.00 177.39 176.41 2ja8 n THR 76 N -2.84 0.00 -1.77 -5.08 -1.04 -1.26 -5.03 114.28 97.26 2ja8 n THR 76 Ca -0.01 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.00 2ja8 n THR 76 Cb 0.10 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.61 2ja8 n THR 76 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 2ja8 n ARG 77 N 0.00 -5.06 -1.25 -2.82 1.74 -1.26 -4.87 116.66 103.15 2ja8 n ARG 77 Ca 0.00 3.75 -0.38 0.00 -0.77 0.00 0.00 57.85 60.45 2ja8 n ARG 77 Cb 0.00 -4.21 0.02 0.00 -1.02 0.00 0.00 32.46 27.25 2ja8 n ARG 77 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 2ja8 n SER 78 N -0.66 -3.44 -4.66 0.55 3.41 -1.26 -4.91 113.62 102.66 2ja8 n SER 78 Ca 0.00 0.60 -0.40 0.00 -0.26 0.00 0.00 58.87 58.81 2ja8 n SER 78 Cb 0.00 -0.91 -0.06 0.00 -0.26 0.00 0.00 64.21 62.98 2ja8 n SER 78 CO 0.00 0.00 0.00 0.86 -0.16 0.00 0.00 175.04 175.74 2ja8 s TRP 79 N -1.96 3.37 0.05 7.33 -0.00 -1.26 -5.07 118.94 121.40 2ja8 s TRP 79 Ca 0.57 0.89 -0.14 0.00 -0.00 0.00 0.00 56.10 57.42 2ja8 s TRP 79 Cb -0.44 -2.77 -0.06 0.00 -0.00 0.00 0.00 33.47 30.20 2ja8 s TRP 79 CO 0.66 -0.16 0.46 1.03 -0.00 0.00 0.00 176.95 178.94 2ja8 s ARG 80 N 1.86 3.94 0.00 5.86 0.52 -1.26 -5.11 118.95 124.77 2ja8 s ARG 80 Ca 0.28 0.44 0.00 0.00 -0.52 0.00 0.00 55.73 55.92 2ja8 s ARG 80 Cb -0.16 -3.13 0.00 0.00 0.52 0.00 0.00 34.95 32.18 2ja8 s ARG 80 CO 0.10 0.62 0.00 -2.30 0.02 0.00 0.00 175.30 173.75 2ja8 n PRO 81 N 1.46 0.00 0.00 3.54 -0.02 -1.26 -5.05 135.00 133.67 2ja8 n PRO 81 Ca -0.11 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.37 2ja8 n PRO 81 Cb 0.52 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.00 2ja8 n PRO 81 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 2ja8 n PRO 82 N 0.00 0.00 0.00 0.52 -0.04 -1.26 -4.72 135.00 129.50 2ja8 n PRO 82 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 2ja8 n PRO 82 Cb 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.46 2ja8 n PRO 82 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 2ja8 n GLN 83 N 0.00 0.00 0.00 0.54 6.02 -1.26 -4.54 117.38 118.14 2ja8 n GLN 83 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 2ja8 n GLN 83 Cb 0.00 -0.25 0.00 0.00 1.02 0.00 0.00 30.24 31.01 2ja8 n GLN 83 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2ja8 n ALA 84 N 0.00 1.16 0.14 -1.58 0.00 -1.26 -3.10 120.51 115.87 2ja8 n ALA 84 Ca 0.00 0.00 0.17 0.00 0.00 0.00 0.00 53.44 53.61 2ja8 n ALA 84 Cb 0.00 -1.00 0.75 0.00 0.00 0.00 0.00 19.45 19.20 2ja8 n ALA 84 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2ja8 h GLY 85 N 1.22 0.00 -0.01 0.00 0.00 -1.93 -1.35 103.07 101.00 2ja8 h GLY 85 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2ja8 h GLY 85 CO 0.00 0.00 -0.00 1.34 0.00 0.00 0.00 176.54 177.88 2ja8 n ASP 86 N -4.10 1.40 -3.66 0.19 -0.08 -1.18 -5.06 116.55 104.06 2ja8 n ASP 86 Ca 0.04 -1.72 -0.12 0.00 -1.51 0.00 0.00 54.79 51.48 2ja8 n ASP 86 Cb 0.39 -0.01 0.05 0.00 2.34 0.00 0.00 41.12 43.89 2ja8 n ASP 86 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 2ja8 n ARG 87 N -0.36 0.66 -1.30 -0.67 1.74 -0.51 -5.07 116.66 111.15 2ja8 n ARG 87 Ca 0.00 -1.76 -0.37 0.00 -0.77 0.00 0.00 57.85 54.96 2ja8 n ARG 87 Cb 0.33 -0.19 0.06 0.00 -1.02 0.00 0.00 32.46 31.65 2ja8 n ARG 87 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 2ja8 n SER 88 N -2.68 -1.17 -2.75 0.55 3.41 -1.26 -4.90 113.62 104.81 2ja8 n SER 88 Ca 0.10 0.62 -0.05 0.00 -0.26 0.00 0.00 58.87 59.28 2ja8 n SER 88 Cb 0.35 -1.21 0.02 0.00 -0.26 0.00 0.00 64.21 63.11 2ja8 n SER 88 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2ja8 n LEU 89 N -0.12 -3.17 -0.56 1.04 4.77 -1.26 -4.92 117.00 112.78 2ja8 n LEU 89 Ca 0.10 -2.79 0.00 0.00 -0.03 0.00 0.00 56.01 53.29 2ja8 n LEU 89 Cb 0.49 0.75 0.00 0.00 -2.33 0.00 0.00 43.42 42.34 2ja8 n LEU 89 CO 0.50 1.88 0.13 0.00 -1.33 0.00 0.00 177.39 178.58 2ja8 n ALA 90 N 2.68 1.75 -0.53 -1.18 0.00 -1.26 -4.02 120.51 117.96 2ja8 n ALA 90 Ca 0.16 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.44 2ja8 n ALA 90 Cb 0.58 -1.00 0.08 0.00 0.00 0.00 0.00 19.45 19.11 2ja8 n ALA 90 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2ja8 n ASP 91 N 0.31 4.58 -1.01 0.00 5.75 -1.26 -4.65 116.55 120.28 2ja8 n ASP 91 Ca 0.00 -3.03 0.00 0.00 -0.01 0.00 0.00 54.79 51.75 2ja8 n ASP 91 Cb 0.13 -0.82 0.00 0.00 -1.03 0.00 0.00 41.12 39.41 2ja8 n ASP 91 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 2ja8 n ASP 92 N -0.26 1.14 0.00 -1.12 8.00 -1.26 -4.63 116.55 118.43 2ja8 n ASP 92 Ca 0.35 -0.76 0.00 0.00 0.71 0.00 0.00 54.79 55.09 2ja8 n ASP 92 Cb 0.97 -0.19 0.00 0.00 -0.02 0.00 0.00 41.12 41.88 2ja8 n ASP 92 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 2ja8 n TYR 93 N 0.82 0.00 -0.32 1.24 4.02 -1.26 -4.97 117.16 116.69 2ja8 n TYR 93 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 2ja8 n TYR 93 Cb 0.19 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.51 2ja8 n TYR 93 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 176.86 175.60 2ja8 n ASP 94 N 0.00 0.40 -3.44 7.72 8.00 0.12 -4.97 116.55 124.38 2ja8 n ASP 94 Ca 0.00 -0.80 -0.04 0.00 0.71 0.00 0.00 54.79 54.66 2ja8 n ASP 94 Cb 0.00 0.16 -0.06 0.00 -0.02 0.00 0.00 41.12 41.20 2ja8 n ASP 94 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 2ja8 s TYR 95 N -0.16 -1.09 -0.18 1.24 6.04 -1.00 -4.90 117.35 117.31 2ja8 s TYR 95 Ca 0.00 1.49 -0.00 0.00 0.04 0.00 0.00 57.07 58.60 2ja8 s TYR 95 Cb 0.00 0.36 0.04 0.00 -1.04 0.00 0.00 41.96 41.32 2ja8 s TYR 95 CO 0.00 -0.68 -0.07 0.08 -1.54 0.00 0.00 175.55 173.34 2ja8 s VAL 96 N 2.70 1.31 0.54 3.14 1.01 -1.26 -1.01 120.40 126.83 2ja8 s VAL 96 Ca 0.07 -0.76 0.05 0.00 0.00 0.00 0.00 61.98 61.34 2ja8 s VAL 96 Cb -0.14 -1.44 0.04 0.00 0.00 0.00 0.00 36.38 34.84 2ja8 s VAL 96 CO -0.17 0.15 0.39 -0.04 0.00 0.00 0.00 175.10 175.43 2ja8 s MET 97 N 1.55 2.25 -0.26 2.72 -1.94 -0.54 -4.94 119.30 118.14 2ja8 s MET 97 Ca 0.00 -2.03 -0.08 0.00 -1.71 0.00 0.00 55.69 51.87 2ja8 s MET 97 Cb -0.16 -2.08 0.12 0.00 2.01 0.00 0.00 34.83 34.73 2ja8 s MET 97 CO -0.08 -0.61 0.55 -0.47 -0.01 0.00 0.00 175.02 174.41 2ja8 s TYR 98 N -2.77 -1.16 0.00 -0.03 5.04 -1.26 -1.64 117.35 115.53 2ja8 s TYR 98 Ca 0.33 1.93 0.00 0.00 -2.44 0.00 0.00 57.07 56.90 2ja8 s TYR 98 Cb -0.02 0.58 0.00 0.00 0.35 0.00 0.00 41.96 42.87 2ja8 s TYR 98 CO 0.21 -0.63 0.00 0.41 -1.34 0.00 0.00 175.55 174.20 2ja8 n GLY 99 N 5.42 4.73 3.34 8.97 0.00 -1.24 -4.53 105.19 121.89 2ja8 n GLY 99 Ca -0.09 -1.18 -0.18 0.00 0.00 0.00 0.00 46.02 44.57 2ja8 n GLY 99 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2ja8 s THR 100 N -0.93 1.21 -0.10 2.61 2.01 0.11 -4.05 115.64 116.50 2ja8 s THR 100 Ca 0.00 -2.06 -0.00 0.00 0.31 0.00 0.00 61.69 59.94 2ja8 s THR 100 Cb 0.00 -2.29 -0.03 0.00 0.01 0.00 0.00 72.50 70.19 2ja8 s THR 100 CO 0.00 -0.38 -0.08 0.00 -0.69 0.00 0.00 174.62 173.46 2ja8 s ALA 101 N -3.30 2.86 -0.23 7.40 0.00 -1.26 0.10 121.76 127.32 2ja8 s ALA 101 Ca 0.27 -0.88 -0.16 0.00 0.00 0.00 0.00 51.96 51.19 2ja8 s ALA 101 Cb 0.05 -1.28 -0.10 0.00 0.00 0.00 0.00 23.12 21.79 2ja8 s ALA 101 CO 0.08 0.40 -0.30 2.48 0.00 0.00 0.00 175.76 178.43 2ja8 n TYR 102 N 2.88 0.14 -4.41 0.00 -0.00 -1.21 -4.88 117.16 109.69 2ja8 n TYR 102 Ca -0.18 0.06 -0.28 0.00 -0.00 0.00 0.00 57.90 57.51 2ja8 n TYR 102 Cb 0.53 -0.82 -0.12 0.00 -0.00 0.00 0.00 39.34 38.92 2ja8 n TYR 102 CO 0.00 0.00 0.00 0.21 -0.00 0.00 0.00 176.86 177.07 2ja8 s LYS 103 N -2.62 1.50 -0.70 -3.48 2.20 -1.26 -5.03 119.74 110.36 2ja8 s LYS 103 Ca -0.33 -1.46 0.05 0.00 -0.36 0.00 0.00 55.97 53.87 2ja8 s LYS 103 Cb 0.10 -1.88 0.22 0.00 -1.51 0.00 0.00 37.83 34.76 2ja8 s LYS 103 CO 0.46 0.42 0.67 1.19 -0.36 0.00 0.00 175.35 177.73 2ja8 n PHE 104 N 0.48 3.50 -2.21 4.03 3.01 -1.26 -2.26 117.46 122.75 2ja8 n PHE 104 Ca -0.14 -4.18 -0.36 0.00 1.01 0.00 0.00 57.45 53.78 2ja8 n PHE 104 Cb 0.55 -0.64 0.00 0.00 -0.01 0.00 0.00 39.48 39.38 2ja8 n PHE 104 CO 0.00 0.00 0.00 -2.00 1.01 0.00 0.00 176.76 175.77 2ja8 s GLU 105 N -2.04 3.42 -0.59 -1.08 2.12 -0.69 -4.87 118.70 114.97 2ja8 s GLU 105 Ca 0.33 1.71 -0.08 0.00 0.36 0.00 0.00 54.97 57.29 2ja8 s GLU 105 Cb 0.06 -2.13 0.15 0.00 0.26 0.00 0.00 34.13 32.47 2ja8 s GLU 105 CO -0.08 -0.82 0.46 -1.21 -0.54 0.00 0.00 175.26 173.07 2ja8 s GLU 106 N -3.09 2.72 -1.37 4.30 2.02 -1.26 -1.59 118.70 120.42 2ja8 s GLU 106 Ca 0.71 -2.14 -0.12 0.00 0.02 0.00 0.00 54.97 53.43 2ja8 s GLU 106 Cb -0.27 -3.96 -0.04 0.00 0.10 0.00 0.00 34.13 29.96 2ja8 s GLU 106 CO 0.31 -1.21 2.46 0.28 0.02 0.00 0.00 175.26 177.12 2ja8 n VAL 107 N 4.27 3.46 -0.99 2.63 0.31 0.14 -4.91 118.33 123.24 2ja8 n VAL 107 Ca 0.02 -2.48 0.09 0.00 -0.01 0.00 0.00 64.34 61.95 2ja8 n VAL 107 Cb 0.41 -2.52 -0.04 0.00 -0.91 0.00 0.00 33.84 30.78 2ja8 n VAL 107 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 2ja8 n SER 108 N 5.06 -4.23 0.00 4.52 3.41 -1.26 -4.39 113.62 116.74 2ja8 n SER 108 Ca 0.61 0.64 0.00 0.00 -0.26 0.00 0.00 58.87 59.86 2ja8 n SER 108 Cb 0.30 -3.22 0.00 0.00 -0.26 0.00 0.00 64.21 61.03 2ja8 n SER 108 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2ja8 n LYS 109 N -3.43 0.00 -2.79 4.33 5.02 -1.26 -1.82 118.16 118.22 2ja8 n LYS 109 Ca -0.03 0.00 -0.29 0.00 -2.02 0.00 0.00 58.31 55.96 2ja8 n LYS 109 Cb 0.48 0.00 -0.02 0.00 -0.02 0.00 0.00 35.03 35.47 2ja8 n LYS 109 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 2ja8 n ASP 110 N 3.31 5.01 -3.90 4.39 5.75 -1.26 -4.98 116.55 124.88 2ja8 n ASP 110 Ca 0.00 -3.70 -0.30 0.00 -0.01 0.00 0.00 54.79 50.78 2ja8 n ASP 110 Cb 0.00 -0.64 -0.15 0.00 -1.03 0.00 0.00 41.12 39.30 2ja8 n ASP 110 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 2ja8 s LEU 111 N -3.62 2.74 -0.18 -2.12 1.43 -0.75 -4.64 118.68 111.54 2ja8 s LEU 111 Ca 0.48 -1.39 -0.05 0.00 -1.03 0.00 0.00 54.13 52.13 2ja8 s LEU 111 Cb 0.29 -1.14 -0.03 0.00 0.03 0.00 0.00 46.19 45.34 2ja8 s LEU 111 CO -0.16 -0.30 0.01 -0.63 0.23 0.00 0.00 176.35 175.50 2ja8 s ILE 112 N 1.40 4.21 -0.05 -0.59 1.01 -1.11 0.26 121.20 126.33 2ja8 s ILE 112 Ca 0.00 -0.24 0.05 0.00 0.00 0.00 0.00 60.65 60.47 2ja8 s ILE 112 Cb -0.18 -2.88 -0.01 0.00 0.01 0.00 0.00 42.46 39.40 2ja8 s ILE 112 CO -0.10 0.46 -0.21 0.00 0.00 0.00 0.00 174.94 175.09 2ja8 s ALA 113 N 0.54 1.80 -0.05 9.38 0.00 -0.62 -3.22 121.76 129.59 2ja8 s ALA 113 Ca -0.00 -0.86 0.05 0.00 0.00 0.00 0.00 51.96 51.15 2ja8 s ALA 113 Cb -0.14 -0.56 -0.02 0.00 0.00 0.00 0.00 23.12 22.40 2ja8 s ALA 113 CO 0.02 0.35 -0.21 0.14 0.00 0.00 0.00 175.76 176.06 2ja8 s VAL 114 N -0.11 2.43 0.19 0.00 -7.23 -0.93 -1.71 120.40 113.03 2ja8 s VAL 114 Ca -0.02 -0.95 -0.05 0.00 -1.81 0.00 0.00 61.98 59.15 2ja8 s VAL 114 Cb -0.12 -1.91 -0.06 0.00 0.56 0.00 0.00 36.38 34.86 2ja8 s VAL 114 CO 0.02 0.57 0.44 -0.31 -0.31 0.00 0.00 175.10 175.51 2ja8 s TYR 115 N -0.40 3.47 0.13 2.82 1.51 -0.96 -2.19 117.35 121.73 2ja8 s TYR 115 Ca 0.04 0.60 0.03 0.00 -1.01 0.00 0.00 57.07 56.73 2ja8 s TYR 115 Cb -0.12 -2.05 -0.04 0.00 -0.11 0.00 0.00 41.96 39.64 2ja8 s TYR 115 CO 0.02 0.36 -0.07 0.71 -1.11 0.00 0.00 175.55 175.46 2ja8 s TYR 116 N -1.78 1.08 -0.16 2.71 1.51 0.10 -3.30 117.35 117.52 2ja8 s TYR 116 Ca 0.42 -0.88 -0.07 0.00 -1.01 0.00 0.00 57.07 55.54 2ja8 s TYR 116 Cb -0.12 -0.59 0.07 0.00 -0.11 0.00 0.00 41.96 41.21 2ja8 s TYR 116 CO 0.25 -0.08 0.35 0.45 -1.11 0.00 0.00 175.55 175.41 2ja8 s SER 117 N -3.11 -0.17 -0.96 2.29 0.15 0.11 -0.80 113.70 111.21 2ja8 s SER 117 Ca 0.16 0.79 -0.05 0.00 0.70 0.00 0.00 55.95 57.54 2ja8 s SER 117 Cb 0.04 0.87 0.24 0.00 -1.71 0.00 0.00 66.02 65.46 2ja8 s SER 117 CO -0.01 -0.21 0.89 -0.36 1.20 0.00 0.00 173.24 174.74 2ja8 s PHE 118 N 2.01 4.01 -1.65 3.44 0.40 0.33 0.10 117.98 126.63 2ja8 s PHE 118 Ca -0.04 -2.87 -0.11 0.00 -0.60 0.00 0.00 56.93 53.31 2ja8 s PHE 118 Cb -0.11 -3.47 0.10 0.00 0.51 0.00 0.00 43.02 40.05 2ja8 s PHE 118 CO -0.11 -0.82 0.43 0.41 0.70 0.00 0.00 175.22 175.83 2ja8 n GLY 119 N 2.55 -0.29 0.00 4.36 0.00 -1.26 -1.64 105.19 108.90 2ja8 n GLY 119 Ca 0.22 0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.37 2ja8 n GLY 119 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ja8 n GLY 120 N -1.78 1.38 3.21 -0.02 0.00 -1.26 -5.07 105.19 101.64 2ja8 n GLY 120 Ca -0.11 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.55 2ja8 n GLY 120 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2ja8 s LEU 121 N 0.00 3.80 0.79 0.99 1.43 -0.65 -5.10 118.68 119.94 2ja8 s LEU 121 Ca 0.00 -1.12 -0.08 0.00 -1.03 0.00 0.00 54.13 51.90 2ja8 s LEU 121 Cb 0.00 -1.74 0.12 0.00 0.03 0.00 0.00 46.19 44.61 2ja8 s LEU 121 CO 0.00 -0.24 1.11 -0.76 0.23 0.00 0.00 176.35 176.69 2ja8 s LEU 122 N 1.31 2.83 -0.10 1.79 1.43 -1.26 0.12 118.68 124.80 2ja8 s LEU 122 Ca -0.03 0.16 -0.30 0.00 -1.03 0.00 0.00 54.13 52.93 2ja8 s LEU 122 Cb -0.19 -2.54 0.12 0.00 0.03 0.00 0.00 46.19 43.61 2ja8 s LEU 122 CO -0.01 -2.03 0.95 -0.32 0.23 0.00 0.00 176.35 175.17 2ja8 s MET 123 N -5.42 0.69 -0.03 1.70 -2.45 0.02 -1.81 119.30 112.00 2ja8 s MET 123 Ca 0.66 -0.03 -0.01 0.00 -1.25 0.00 0.00 55.69 55.06 2ja8 s MET 123 Cb -0.07 0.32 0.02 0.00 1.25 0.00 0.00 34.83 36.35 2ja8 s MET 123 CO 0.47 -0.25 0.06 0.50 1.05 0.00 0.00 175.02 176.85 2ja8 s ARG 124 N -1.94 0.02 0.00 4.11 3.52 0.44 -0.72 118.95 124.39 2ja8 s ARG 124 Ca 0.01 0.17 0.06 0.00 -0.13 0.00 0.00 55.73 55.84 2ja8 s ARG 124 Cb -0.01 -0.12 -0.02 0.00 -1.56 0.00 0.00 34.95 33.24 2ja8 s ARG 124 CO -0.02 -0.10 -0.18 -1.17 -0.81 0.00 0.00 175.30 173.01 2ja8 s LEU 125 N 0.66 2.07 -0.03 -0.88 2.96 -0.93 -0.75 118.68 121.77 2ja8 s LEU 125 Ca -0.05 -0.37 0.01 0.00 -0.22 0.00 0.00 54.13 53.50 2ja8 s LEU 125 Cb -0.07 -0.92 0.02 0.00 0.50 0.00 0.00 46.19 45.71 2ja8 s LEU 125 CO -0.02 0.20 -0.05 -0.70 -1.32 0.00 0.00 176.35 174.45 2ja8 s GLU 126 N -0.61 0.78 0.00 1.98 2.12 -0.79 -2.19 118.70 119.99 2ja8 s GLU 126 Ca 0.07 -0.15 0.00 0.00 0.36 0.00 0.00 54.97 55.25 2ja8 s GLU 126 Cb -0.07 -0.77 0.00 0.00 0.26 0.00 0.00 34.13 33.54 2ja8 s GLU 126 CO -0.00 -0.02 0.00 0.41 -0.54 0.00 0.00 175.26 175.11 2ja8 n GLY 127 N 3.74 -0.29 0.00 -1.50 0.00 -1.20 -2.41 105.19 103.53 2ja8 n GLY 127 Ca -0.23 0.40 0.00 0.00 0.00 0.00 0.00 46.02 46.20 2ja8 n GLY 127 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2ja8 n ASN 128 N 0.00 0.00 -0.87 1.61 2.85 -1.26 -2.77 115.26 114.82 2ja8 n ASN 128 Ca 0.00 0.00 0.07 0.00 -0.11 0.00 0.00 54.58 54.54 2ja8 n ASN 128 Cb 0.00 0.00 0.21 0.00 1.24 0.00 0.00 39.78 41.23 2ja8 n ASN 128 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2ja8 n TYR 129 N 0.00 0.67 -1.51 1.20 0.18 -1.26 -4.58 117.16 111.86 2ja8 n TYR 129 Ca 0.00 -0.53 -0.34 0.00 1.88 0.00 0.00 57.90 58.91 2ja8 n TYR 129 Cb 0.00 -0.05 0.05 0.00 -0.38 0.00 0.00 39.34 38.96 2ja8 n TYR 129 CO 0.00 0.00 0.00 0.54 -2.08 0.00 0.00 176.86 175.32 2ja8 n ARG 130 N 0.75 2.61 -0.20 -3.48 3.00 -1.26 -4.61 116.66 113.46 2ja8 n ARG 130 Ca 0.16 -3.14 -0.00 0.00 -0.01 0.00 0.00 57.85 54.86 2ja8 n ARG 130 Cb 0.53 -2.21 0.23 0.00 0.00 0.00 0.00 32.46 31.01 2ja8 n ARG 130 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.63 176.72 2ja8 h ASN 131 N 2.38 0.85 -0.02 0.55 2.35 -1.93 -2.67 115.58 117.09 2ja8 h ASN 131 Ca 0.55 -0.04 0.00 0.00 -0.55 0.00 0.00 56.30 56.26 2ja8 h ASN 131 Cb 0.54 -0.22 0.00 0.00 0.05 0.00 0.00 38.32 38.69 2ja8 h ASN 131 CO 1.41 0.65 0.00 0.18 -1.65 0.00 0.00 177.43 178.02 2ja8 n LEU 132 N -4.40 2.41 0.00 1.61 4.77 -1.26 -4.78 117.00 115.36 2ja8 n LEU 132 Ca 0.07 -2.90 -0.04 0.00 -0.03 0.00 0.00 56.01 53.12 2ja8 n LEU 132 Cb 0.06 -0.37 -0.01 0.00 -2.33 0.00 0.00 43.42 40.77 2ja8 n LEU 132 CO 0.37 0.67 -0.33 0.59 -1.33 0.00 0.00 177.39 177.36 2ja8 n ASN 133 N -1.20 1.06 -4.55 -1.43 3.02 -1.12 -4.95 115.26 106.09 2ja8 n ASN 133 Ca 0.14 0.15 -0.37 0.00 -0.03 0.00 0.00 54.58 54.47 2ja8 n ASN 133 Cb 0.59 -0.36 -0.03 0.00 -0.61 0.00 0.00 39.78 39.37 2ja8 n ASN 133 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 2ja8 s ASN 134 N -5.86 5.69 1.29 6.41 3.84 -1.02 -4.91 114.94 120.38 2ja8 s ASN 134 Ca -0.08 -0.36 -0.15 0.00 0.21 0.00 0.00 52.86 52.48 2ja8 s ASN 134 Cb 0.02 -2.55 0.24 0.00 -0.55 0.00 0.00 41.25 38.40 2ja8 s ASN 134 CO 0.11 -2.16 0.55 0.18 -2.79 0.00 0.00 177.10 172.98 2ja8 n LEU 135 N 11.44 0.00 -0.06 3.21 4.77 -1.26 -4.96 117.00 130.14 2ja8 n LEU 135 Ca 0.21 -0.56 0.01 0.00 -0.03 0.00 0.00 56.01 55.64 2ja8 n LEU 135 Cb 0.50 -0.62 -0.00 0.00 -2.33 0.00 0.00 43.42 40.97 2ja8 n LEU 135 CO 0.68 -2.30 0.14 0.29 -1.33 0.00 0.00 177.39 174.88 2ja8 n LYS 136 N -4.33 2.83 -0.87 3.23 5.02 -1.26 -5.06 118.16 117.72 2ja8 n LYS 136 Ca 0.09 -0.33 -0.30 0.00 -2.02 0.00 0.00 58.31 55.75 2ja8 n LYS 136 Cb 0.37 -0.84 0.24 0.00 -0.02 0.00 0.00 35.03 34.79 2ja8 n LYS 136 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 2ja8 s GLN 137 N -0.76 -1.35 -0.03 1.97 -0.21 -1.26 -4.81 119.66 113.21 2ja8 s GLN 137 Ca 0.02 0.16 -0.18 0.00 0.02 0.00 0.00 55.36 55.38 2ja8 s GLN 137 Cb 0.02 -1.56 -0.11 0.00 1.00 0.00 0.00 33.01 32.37 2ja8 s GLN 137 CO 0.07 -3.84 0.76 1.49 -2.12 0.00 0.00 175.29 171.65 2ja8 h GLU 138 N -2.68 -0.55 -5.47 2.91 4.81 -1.89 -3.38 114.58 108.32 2ja8 h GLU 138 Ca -0.48 0.04 -0.75 0.00 -0.13 0.00 0.00 59.36 58.04 2ja8 h GLU 138 Cb 1.32 0.13 0.03 0.00 0.63 0.00 0.00 28.75 30.86 2ja8 h GLU 138 CO 0.39 -0.32 0.23 0.09 -0.73 0.00 0.00 179.01 178.67 2ja8 n ASN 139 N -5.16 0.34 0.00 1.04 3.02 -1.26 -4.21 115.26 109.02 2ja8 n ASN 139 Ca -0.08 1.07 0.00 0.00 -0.03 0.00 0.00 54.58 55.54 2ja8 n ASN 139 Cb 0.25 -0.83 0.00 0.00 -0.61 0.00 0.00 39.78 38.59 2ja8 n ASN 139 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2ja8 n ALA 140 N 2.08 0.00 -1.77 5.41 0.00 -1.26 -4.78 120.51 120.19 2ja8 n ALA 140 Ca 0.21 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.27 2ja8 n ALA 140 Cb 0.03 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.44 2ja8 n ALA 140 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 2ja8 s TYR 141 N 0.00 3.53 0.02 0.00 1.51 -0.92 -3.67 117.35 117.81 2ja8 s TYR 141 Ca 0.00 1.71 0.06 0.00 -1.01 0.00 0.00 57.07 57.83 2ja8 s TYR 141 Cb 0.00 -3.17 -0.03 0.00 -0.11 0.00 0.00 41.96 38.65 2ja8 s TYR 141 CO 0.00 -0.40 -0.15 -1.17 -1.11 0.00 0.00 175.55 172.72 2ja8 s LEU 142 N -1.86 2.76 0.08 -1.29 2.96 -0.65 -3.93 118.68 116.75 2ja8 s LEU 142 Ca 0.49 -0.32 0.03 0.00 -0.22 0.00 0.00 54.13 54.11 2ja8 s LEU 142 Cb -0.27 -1.60 -0.03 0.00 0.50 0.00 0.00 46.19 44.79 2ja8 s LEU 142 CO 0.34 0.28 -0.10 -0.76 -1.32 0.00 0.00 176.35 174.79 2ja8 s LEU 143 N -1.32 2.35 -0.06 -0.68 1.02 -1.18 -1.47 118.68 117.34 2ja8 s LEU 143 Ca 0.15 -0.72 -0.07 0.00 0.02 0.00 0.00 54.13 53.51 2ja8 s LEU 143 Cb -0.11 -0.26 0.02 0.00 0.02 0.00 0.00 46.19 45.86 2ja8 s LEU 143 CO 0.05 -0.24 0.19 -0.63 0.02 0.00 0.00 176.35 175.74 2ja8 s ILE 144 N -2.06 0.02 0.03 -0.59 1.01 -0.18 -2.42 121.20 117.01 2ja8 s ILE 144 Ca 0.00 -0.14 -0.01 0.00 0.00 0.00 0.00 60.65 60.50 2ja8 s ILE 144 Cb -0.05 -0.31 -0.02 0.00 0.01 0.00 0.00 42.46 42.08 2ja8 s ILE 144 CO -0.00 -0.08 -0.02 0.00 0.00 0.00 0.00 174.94 174.84 2ja8 s ARG 145 N -0.22 0.39 0.00 2.79 1.70 -1.17 0.14 118.95 122.58 2ja8 s ARG 145 Ca -0.03 -0.73 0.00 0.00 -0.47 0.00 0.00 55.73 54.50 2ja8 s ARG 145 Cb -0.03 0.14 0.00 0.00 -0.57 0.00 0.00 34.95 34.49 2ja8 s ARG 145 CO 0.01 -0.07 0.00 0.54 -1.08 0.00 0.00 175.30 174.70