#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ja8 n ASN 2 N 0.00 0.29 -4.53 6.12 3.02 -1.26 -4.85 115.26 114.05 2ja8 n ASN 2 Ca 0.00 -0.20 -0.53 0.00 -0.03 0.00 0.00 54.58 53.83 2ja8 n ASN 2 Cb 0.00 -0.16 -0.07 0.00 -0.61 0.00 0.00 39.78 38.94 2ja8 n ASN 2 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2ja8 n ALA 3 N -1.22 0.69 -0.31 5.41 0.00 -1.26 -4.92 120.51 118.90 2ja8 n ALA 3 Ca 0.11 0.11 -0.28 0.00 0.00 0.00 0.00 53.44 53.38 2ja8 n ALA 3 Cb 0.30 -2.44 0.27 0.00 0.00 0.00 0.00 19.45 17.58 2ja8 n ALA 3 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2ja8 n PRO 4 N 7.26 -4.19 -3.07 0.00 -0.04 -1.26 -4.91 135.00 128.80 2ja8 n PRO 4 Ca 0.36 -1.24 -0.41 0.00 -0.04 0.00 0.00 63.50 62.17 2ja8 n PRO 4 Cb 0.20 -1.86 -0.06 0.00 -0.04 0.00 0.00 33.50 31.74 2ja8 n PRO 4 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2ja8 s ASP 5 N -2.80 6.66 0.06 3.54 1.01 -1.26 -4.96 116.67 118.92 2ja8 s ASP 5 Ca 0.61 0.82 -0.11 0.00 0.71 0.00 0.00 52.55 54.58 2ja8 s ASP 5 Cb -0.12 -2.36 -0.03 0.00 1.01 0.00 0.00 42.92 41.42 2ja8 s ASP 5 CO 0.53 -0.37 0.88 0.54 0.21 0.00 0.00 175.17 176.96 2ja8 n ARG 6 N 5.57 -0.16 0.00 8.23 5.12 -1.26 -0.82 116.66 133.33 2ja8 n ARG 6 Ca 0.00 0.87 0.00 0.00 -1.93 0.00 0.00 57.85 56.79 2ja8 n ARG 6 Cb 0.49 -1.28 0.00 0.00 -1.16 0.00 0.00 32.46 30.51 2ja8 n ARG 6 CO 0.00 0.00 0.00 1.97 -1.93 0.00 0.00 177.63 177.67 2ja8 n PHE 7 N -3.86 0.00 1.46 -1.55 1.16 -1.26 -1.97 117.46 111.44 2ja8 n PHE 7 Ca 0.01 0.00 0.04 0.00 -1.87 0.00 0.00 57.45 55.63 2ja8 n PHE 7 Cb 0.10 0.00 0.13 0.00 -1.61 0.00 0.00 39.48 38.10 2ja8 n PHE 7 CO 0.00 0.00 0.00 0.39 -1.87 0.00 0.00 176.76 175.28 2ja8 n GLU 8 N -0.55 1.40 0.00 3.97 1.02 -0.00 -2.81 120.64 123.66 2ja8 n GLU 8 Ca 0.00 -0.63 0.13 0.00 -0.02 0.00 0.00 57.16 56.64 2ja8 n GLU 8 Cb 0.00 -1.16 0.39 0.00 -0.02 0.00 0.00 31.44 30.65 2ja8 n GLU 8 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2ja8 n LEU 9 N -0.01 1.02 0.00 -4.62 4.77 -0.83 -4.55 117.00 112.78 2ja8 n LEU 9 Ca 0.07 -0.26 0.00 0.00 -0.03 0.00 0.00 56.01 55.79 2ja8 n LEU 9 Cb 0.16 -0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.13 2ja8 n LEU 9 CO 0.05 0.19 0.00 2.22 -1.33 0.00 0.00 177.39 178.52 2ja8 n PHE 10 N -0.63 0.00 -3.42 -1.77 1.16 -1.22 -4.39 117.46 107.19 2ja8 n PHE 10 Ca 0.13 0.00 -0.42 0.00 -1.87 0.00 0.00 57.45 55.28 2ja8 n PHE 10 Cb 0.35 0.00 -0.10 0.00 -1.61 0.00 0.00 39.48 38.12 2ja8 n PHE 10 CO 0.00 0.00 0.00 -0.51 -1.87 0.00 0.00 176.76 174.38 2ja8 s LEU 11 N 0.00 4.86 0.80 5.98 2.01 -1.12 -4.94 118.68 126.27 2ja8 s LEU 11 Ca 0.00 -0.67 -0.14 0.00 0.01 0.00 0.00 54.13 53.34 2ja8 s LEU 11 Cb 0.00 -2.25 0.08 0.00 0.01 0.00 0.00 46.19 44.03 2ja8 s LEU 11 CO 0.00 -0.44 1.17 0.18 1.01 0.00 0.00 176.35 178.27 2ja8 n LEU 12 N 5.31 4.26 0.00 1.79 4.32 -1.26 -4.79 117.00 126.63 2ja8 n LEU 12 Ca -0.10 0.59 0.00 0.00 -0.02 0.00 0.00 56.01 56.48 2ja8 n LEU 12 Cb 0.48 -1.50 0.00 0.00 -1.62 0.00 0.00 43.42 40.78 2ja8 n LEU 12 CO 0.42 -1.76 0.00 0.61 -1.22 0.00 0.00 177.39 175.44 2ja8 n GLY 13 N 0.61 2.64 3.63 -0.72 0.00 -1.26 -5.01 105.19 105.08 2ja8 n GLY 13 Ca 0.13 -2.12 -0.50 0.00 0.00 0.00 0.00 46.02 43.53 2ja8 n GLY 13 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2ja8 n GLU 14 N -0.60 1.76 -2.84 1.61 1.02 -1.26 -3.68 120.64 116.65 2ja8 n GLU 14 Ca 0.00 0.61 -0.01 0.00 -0.02 0.00 0.00 57.16 57.73 2ja8 n GLU 14 Cb 0.00 -2.57 0.00 0.00 -0.02 0.00 0.00 31.44 28.85 2ja8 n GLU 14 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2ja8 n GLY 15 N 4.97 -3.15 3.64 0.62 0.00 -1.26 -5.07 105.19 104.94 2ja8 n GLY 15 Ca 0.28 0.44 -0.07 0.00 0.00 0.00 0.00 46.02 46.67 2ja8 n GLY 15 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2ja8 s GLU 16 N -1.59 0.45 0.19 1.61 2.02 -1.24 -5.18 118.70 114.97 2ja8 s GLU 16 Ca 0.02 0.60 0.08 0.00 0.02 0.00 0.00 54.97 55.70 2ja8 s GLU 16 Cb -0.01 0.19 -0.04 0.00 0.10 0.00 0.00 34.13 34.37 2ja8 s GLU 16 CO 0.63 -0.06 0.01 -1.12 0.02 0.00 0.00 175.26 174.73 2ja8 s SER 17 N 0.55 4.77 0.21 -0.19 0.01 -1.26 -4.82 113.70 112.97 2ja8 s SER 17 Ca -0.00 -0.43 -0.10 0.00 1.31 0.00 0.00 55.95 56.73 2ja8 s SER 17 Cb -0.05 -1.01 0.15 0.00 0.21 0.00 0.00 66.02 65.32 2ja8 s SER 17 CO -0.09 0.07 1.85 0.11 0.41 0.00 0.00 173.24 175.59 2ja8 h LYS 18 N 2.52 1.01 -6.51 12.44 1.79 -1.89 -3.38 116.57 122.56 2ja8 h LYS 18 Ca -0.47 -0.09 -0.68 0.00 -2.18 0.00 0.00 60.65 57.24 2ja8 h LYS 18 Cb 1.21 -0.21 -0.20 0.00 -1.58 0.00 0.00 32.23 31.45 2ja8 h LYS 18 CO 0.58 0.71 -0.77 -0.51 -1.08 0.00 0.00 179.45 178.39 2ja8 s LEU 19 N -10.04 2.83 -0.08 2.94 1.43 -1.26 -0.98 118.68 113.52 2ja8 s LEU 19 Ca -0.13 -0.35 -0.03 0.00 -1.03 0.00 0.00 54.13 52.59 2ja8 s LEU 19 Cb 0.15 -1.65 0.04 0.00 0.03 0.00 0.00 46.19 44.76 2ja8 s LEU 19 CO 0.79 0.25 0.12 -0.75 0.23 0.00 0.00 176.35 176.99 2ja8 s LYS 20 N -1.59 0.00 -0.34 1.70 2.20 -1.13 -4.98 119.74 115.60 2ja8 s LYS 20 Ca 0.17 0.42 -0.03 0.00 -0.36 0.00 0.00 55.97 56.16 2ja8 s LYS 20 Cb -0.11 -0.55 0.06 0.00 -1.51 0.00 0.00 37.83 35.72 2ja8 s LYS 20 CO 0.07 -0.37 0.08 0.42 -0.36 0.00 0.00 175.35 175.20 2ja8 s ILE 21 N 2.24 3.29 -0.13 5.43 1.01 -1.26 -1.11 121.20 130.67 2ja8 s ILE 21 Ca 0.04 -1.46 -0.05 0.00 0.00 0.00 0.00 60.65 59.17 2ja8 s ILE 21 Cb -0.13 -2.97 -0.04 0.00 0.01 0.00 0.00 42.46 39.34 2ja8 s ILE 21 CO -0.05 -0.26 0.05 -1.81 0.00 0.00 0.00 174.94 172.86 2ja8 s ASP 22 N 1.44 5.58 -0.44 3.58 1.01 -0.50 -4.97 116.67 122.37 2ja8 s ASP 22 Ca -0.01 0.17 -0.29 0.00 0.71 0.00 0.00 52.55 53.13 2ja8 s ASP 22 Cb -0.20 -1.79 0.02 0.00 1.01 0.00 0.00 42.92 41.96 2ja8 s ASP 22 CO -0.01 0.30 1.24 -2.16 0.21 0.00 0.00 175.17 174.75 2ja8 s PRO 23 N -0.39 3.69 0.22 8.23 0.04 -1.26 -1.46 135.00 144.06 2ja8 s PRO 23 Ca 0.09 0.74 -0.30 0.00 0.04 0.00 0.00 61.00 61.56 2ja8 s PRO 23 Cb -0.12 -3.94 -0.10 0.00 0.04 0.00 0.00 34.50 30.38 2ja8 s PRO 23 CO 0.02 -1.42 1.47 0.34 0.04 0.00 0.00 177.00 177.44 2ja8 s ASP 24 N 2.96 6.65 -0.08 6.66 -1.08 -1.19 -4.92 116.67 125.68 2ja8 s ASP 24 Ca 0.53 2.62 0.21 0.00 -0.52 0.00 0.00 52.55 55.39 2ja8 s ASP 24 Cb -0.10 -2.61 -0.31 0.00 -1.46 0.00 0.00 42.92 38.44 2ja8 s ASP 24 CO 0.31 -0.73 0.35 0.35 0.52 0.00 0.00 175.17 175.97 2ja8 n THR 25 N 2.88 0.43 -0.03 1.71 -2.24 -1.26 -4.44 114.28 111.33 2ja8 n THR 25 Ca 0.09 -0.61 0.24 0.00 -2.27 0.00 0.00 64.05 61.50 2ja8 n THR 25 Cb 0.40 -0.14 0.66 0.00 -2.10 0.00 0.00 70.33 69.14 2ja8 n THR 25 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 2ja8 h LYS 26 N 0.00 0.00 -2.11 -0.78 1.79 -1.99 -3.41 116.57 110.07 2ja8 h LYS 26 Ca -0.17 0.00 -0.05 0.00 -2.18 0.00 0.00 60.65 58.25 2ja8 h LYS 26 Cb 1.39 0.00 -0.22 0.00 -1.58 0.00 0.00 32.23 31.82 2ja8 h LYS 26 CO 0.01 0.00 0.06 0.00 -1.08 0.00 0.00 179.45 178.44 2ja8 s ALA 27 N -4.57 -1.67 0.36 3.86 0.00 -1.26 -5.16 121.76 113.32 2ja8 s ALA 27 Ca -0.04 1.95 -0.26 0.00 0.00 0.00 0.00 51.96 53.61 2ja8 s ALA 27 Cb 0.15 -1.14 -0.12 0.00 0.00 0.00 0.00 23.12 22.01 2ja8 s ALA 27 CO 0.53 -0.32 0.98 -0.35 0.00 0.00 0.00 175.76 176.60 2ja8 n PRO 28 N 2.94 1.32 -3.06 0.00 -0.04 -1.26 -4.13 135.00 130.77 2ja8 n PRO 28 Ca -0.15 0.47 -0.02 0.00 -0.04 0.00 0.00 63.50 63.76 2ja8 n PRO 28 Cb 0.56 -1.92 0.00 0.00 -0.04 0.00 0.00 33.50 32.09 2ja8 n PRO 28 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 2ja8 n ASN 29 N 0.89 -6.97 -3.58 3.54 2.85 -1.26 -4.92 115.26 105.81 2ja8 n ASN 29 Ca 0.09 0.68 -0.06 0.00 -0.11 0.00 0.00 54.58 55.18 2ja8 n ASN 29 Cb 0.36 -2.74 -0.03 0.00 1.24 0.00 0.00 39.78 38.61 2ja8 n ASN 29 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2ja8 s ALA 30 N -1.24 -2.00 0.10 5.20 0.00 -1.26 -3.79 121.76 118.77 2ja8 s ALA 30 Ca 0.02 1.55 -0.02 0.00 0.00 0.00 0.00 51.96 53.51 2ja8 s ALA 30 Cb -0.00 -0.42 -0.04 0.00 0.00 0.00 0.00 23.12 22.66 2ja8 s ALA 30 CO 0.28 -0.47 0.05 0.08 0.00 0.00 0.00 175.76 175.70 2ja8 s VAL 31 N -1.95 0.15 -0.20 0.00 1.01 0.15 -3.16 120.40 116.40 2ja8 s VAL 31 Ca 0.06 -1.78 -0.01 0.00 0.00 0.00 0.00 61.98 60.24 2ja8 s VAL 31 Cb -0.01 -1.77 0.06 0.00 0.00 0.00 0.00 36.38 34.66 2ja8 s VAL 31 CO -0.04 -0.68 -0.02 -0.69 0.00 0.00 0.00 175.10 173.67 2ja8 s VAL 32 N -3.98 1.01 -0.25 2.92 1.01 -0.54 -1.14 120.40 119.44 2ja8 s VAL 32 Ca 0.15 -0.80 -0.06 0.00 0.00 0.00 0.00 61.98 61.28 2ja8 s VAL 32 Cb 0.07 -1.35 -0.01 0.00 0.00 0.00 0.00 36.38 35.09 2ja8 s VAL 32 CO -0.04 -0.09 0.03 -0.63 0.00 0.00 0.00 175.10 174.37 2ja8 s ILE 33 N 1.64 3.80 -0.50 2.22 1.01 0.22 -1.40 121.20 128.19 2ja8 s ILE 33 Ca -0.02 -0.48 -0.20 0.00 0.00 0.00 0.00 60.65 59.95 2ja8 s ILE 33 Cb -0.17 -2.82 0.05 0.00 0.01 0.00 0.00 42.46 39.53 2ja8 s ILE 33 CO -0.07 0.28 0.64 -0.89 0.00 0.00 0.00 174.94 174.91 2ja8 s THR 34 N 1.52 4.84 -0.27 2.92 2.01 -0.26 0.31 115.64 126.70 2ja8 s THR 34 Ca 0.05 -0.35 -0.23 0.00 0.31 0.00 0.00 61.69 61.47 2ja8 s THR 34 Cb -0.15 -4.30 -0.01 0.00 0.01 0.00 0.00 72.50 68.05 2ja8 s THR 34 CO 0.00 -0.79 0.75 -0.36 -0.69 0.00 0.00 174.62 173.54 2ja8 s PHE 35 N 2.73 3.26 0.32 4.92 0.40 0.95 -2.84 117.98 127.73 2ja8 s PHE 35 Ca 0.17 0.90 -0.06 0.00 -0.60 0.00 0.00 56.93 57.35 2ja8 s PHE 35 Cb -0.18 -3.05 -0.05 0.00 0.51 0.00 0.00 43.02 40.25 2ja8 s PHE 35 CO 0.13 -0.44 0.60 -1.21 0.70 0.00 0.00 175.22 175.00 2ja8 s GLU 36 N 2.78 3.65 -1.37 0.44 0.41 -0.15 -1.75 118.70 122.71 2ja8 s GLU 36 Ca 0.31 0.08 -0.17 0.00 -0.41 0.00 0.00 54.97 54.78 2ja8 s GLU 36 Cb -0.15 -2.59 0.02 0.00 -1.78 0.00 0.00 34.13 29.63 2ja8 s GLU 36 CO 0.10 0.15 0.37 1.63 -0.49 0.00 0.00 175.26 177.02 2ja8 n LYS 37 N -1.11 -0.77 -3.33 1.61 4.76 -0.75 -4.82 118.16 113.74 2ja8 n LYS 37 Ca -0.01 0.11 -0.11 0.00 -2.87 0.00 0.00 58.31 55.43 2ja8 n LYS 37 Cb 0.54 -3.16 -0.03 0.00 -1.84 0.00 0.00 35.03 30.55 2ja8 n LYS 37 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 2ja8 n GLU 38 N -4.79 0.48 -0.73 1.97 -0.58 -1.23 -4.56 120.64 111.18 2ja8 n GLU 38 Ca -0.22 -2.05 0.00 0.00 -0.42 0.00 0.00 57.16 54.47 2ja8 n GLU 38 Cb 0.63 1.93 0.00 0.00 -0.57 0.00 0.00 31.44 33.44 2ja8 n GLU 38 CO 0.00 0.00 0.00 -0.40 -0.48 0.00 0.00 177.13 176.25 2ja8 n ASP 39 N -1.81 0.00 -0.29 1.62 5.75 -1.26 -1.25 116.55 119.31 2ja8 n ASP 39 Ca 0.01 -0.46 -0.12 0.00 -0.01 0.00 0.00 54.79 54.21 2ja8 n ASP 39 Cb 0.42 0.00 -0.09 0.00 -1.03 0.00 0.00 41.12 40.42 2ja8 n ASP 39 CO 0.00 0.00 0.00 0.45 -0.11 0.00 0.00 177.20 177.54 2ja8 h HIS 40 N 0.46 -1.73 -0.20 2.11 3.86 -1.96 0.93 115.15 118.62 2ja8 h HIS 40 Ca 0.00 0.11 0.02 0.00 -1.16 0.00 0.00 60.37 59.34 2ja8 h HIS 40 Cb 0.00 0.85 -0.03 0.00 1.06 0.00 0.00 27.41 29.29 2ja8 h HIS 40 CO 0.00 -0.40 -0.11 2.41 0.86 0.00 0.00 177.93 180.70 2ja8 n THR 41 N -5.17 -0.13 0.61 2.45 -1.04 -1.26 0.11 114.28 109.84 2ja8 n THR 41 Ca -0.00 0.48 0.11 0.00 -2.04 0.00 0.00 64.05 62.60 2ja8 n THR 41 Cb 0.28 -0.60 -0.06 0.00 -1.82 0.00 0.00 70.33 68.12 2ja8 n THR 41 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 2ja8 n LEU 42 N -4.26 0.61 -0.01 -4.42 0.00 -0.76 -4.25 117.00 103.91 2ja8 n LEU 42 Ca 0.01 -0.18 -0.03 0.00 0.00 0.00 0.00 56.01 55.81 2ja8 n LEU 42 Cb 0.06 -0.05 -0.02 0.00 0.00 0.00 0.00 43.42 43.41 2ja8 n LEU 42 CO -0.03 0.11 0.08 1.23 0.00 0.00 0.00 177.39 178.78 2ja8 h GLY 43 N 4.60 -0.11 -0.04 -3.96 0.00 0.32 -2.81 103.07 101.07 2ja8 h GLY 43 Ca 0.00 0.04 0.23 0.00 0.00 0.00 0.00 47.33 47.60 2ja8 h GLY 43 CO 0.00 -0.04 0.61 -0.57 0.00 0.00 0.00 176.54 176.54 2ja8 h ASN 44 N -1.02 0.68 0.56 0.19 -1.24 -1.34 -0.37 115.58 113.04 2ja8 h ASN 44 Ca -0.01 0.11 -0.03 0.00 0.71 0.00 0.00 56.30 57.08 2ja8 h ASN 44 Cb 0.17 0.00 0.01 0.00 0.73 0.00 0.00 38.32 39.23 2ja8 h ASN 44 CO 0.02 0.16 -0.27 0.25 -1.29 0.00 0.00 177.43 176.30 2ja8 h LEU 45 N 0.62 -0.64 0.00 0.34 5.85 -1.74 0.11 115.31 119.85 2ja8 h LEU 45 Ca 0.61 -0.04 0.00 0.00 0.84 0.00 0.00 57.88 59.29 2ja8 h LEU 45 Cb 1.15 0.17 0.00 0.00 0.37 0.00 0.00 40.66 42.34 2ja8 h LEU 45 CO -0.41 -0.33 0.00 -0.38 -0.34 0.00 0.00 178.44 176.98 2ja8 n ILE 46 N -5.34 0.00 -0.12 4.05 5.41 -0.69 -2.18 119.36 120.48 2ja8 n ILE 46 Ca -0.12 0.00 -0.23 0.00 1.00 0.00 0.00 62.75 63.40 2ja8 n ILE 46 Cb 0.33 -0.71 -0.10 0.00 -0.71 0.00 0.00 39.64 38.46 2ja8 n ILE 46 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 176.55 175.41 2ja8 n ARG 47 N -0.90 0.55 0.15 0.38 0.00 -0.23 -3.84 116.66 112.76 2ja8 n ARG 47 Ca 0.07 0.20 -0.13 0.00 -0.00 0.00 0.00 57.85 57.99 2ja8 n ARG 47 Cb 0.03 -1.42 -0.08 0.00 0.00 0.00 0.00 32.46 31.00 2ja8 n ARG 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2ja8 h ALA 48 N -0.60 -0.38 -0.68 5.13 0.00 -0.71 -2.57 119.26 119.44 2ja8 h ALA 48 Ca -0.60 -0.18 0.12 0.00 0.00 0.00 0.00 54.91 54.26 2ja8 h ALA 48 Cb 1.64 0.15 -0.04 0.00 0.00 0.00 0.00 17.79 19.54 2ja8 h ALA 48 CO -0.28 -0.56 0.46 0.93 0.00 0.00 0.00 179.25 179.80 2ja8 h GLU 49 N -0.70 0.41 0.00 0.00 4.39 -1.69 1.38 114.58 118.36 2ja8 h GLU 49 Ca -0.04 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.64 2ja8 h GLU 49 Cb 0.48 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 29.04 2ja8 h GLU 49 CO 0.06 0.27 0.00 -0.11 -1.16 0.00 0.00 179.01 178.07 2ja8 n LEU 50 N -4.47 0.65 -0.33 1.33 0.00 -1.12 -1.94 117.00 111.11 2ja8 n LEU 50 Ca 0.12 0.65 0.14 0.00 0.00 0.00 0.00 56.01 56.93 2ja8 n LEU 50 Cb 0.45 -0.56 0.64 0.00 0.00 0.00 0.00 43.42 43.95 2ja8 n LEU 50 CO 0.33 -0.53 0.93 -0.11 0.00 0.00 0.00 177.39 178.02 2ja8 n LEU 51 N -2.21 1.02 -0.08 -1.96 7.94 0.47 -3.89 117.00 118.29 2ja8 n LEU 51 Ca 0.02 -0.35 -0.12 0.00 -1.11 0.00 0.00 56.01 54.45 2ja8 n LEU 51 Cb 0.24 -0.01 -0.07 0.00 0.53 0.00 0.00 43.42 44.11 2ja8 n LEU 51 CO 0.20 0.18 -0.25 0.78 -1.11 0.00 0.00 177.39 177.18 2ja8 h ASN 52 N 1.57 0.00 0.00 1.96 2.35 -1.39 -3.45 115.58 116.63 2ja8 h ASN 52 Ca 0.00 -0.36 -0.37 0.00 -0.55 0.00 0.00 56.30 55.02 2ja8 h ASN 52 Cb 0.34 0.00 -0.07 0.00 0.05 0.00 0.00 38.32 38.63 2ja8 h ASN 52 CO 0.00 1.05 1.36 -0.67 -1.65 0.00 0.00 177.43 177.52 2ja8 n ASP 53 N -4.56 0.10 0.18 5.81 -0.08 -1.25 -4.62 116.55 112.13 2ja8 n ASP 53 Ca -0.17 0.09 0.10 0.00 -1.51 0.00 0.00 54.79 53.31 2ja8 n ASP 53 Cb 0.43 -0.67 0.55 0.00 2.34 0.00 0.00 41.12 43.77 2ja8 n ASP 53 CO 0.00 0.00 0.00 0.03 0.12 0.00 0.00 177.20 177.35 2ja8 h ARG 54 N 9.07 0.00 0.00 -0.67 2.47 -1.91 0.59 114.38 123.93 2ja8 h ARG 54 Ca -0.03 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.69 2ja8 h ARG 54 Cb 0.99 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.31 2ja8 h ARG 54 CO 1.07 0.00 0.00 0.87 0.56 0.00 0.00 179.97 182.47 2ja8 h LYS 55 N 0.00 0.00 -5.85 0.04 1.79 -1.97 -3.43 116.57 107.15 2ja8 h LYS 55 Ca 0.00 0.00 -0.62 0.00 -2.18 0.00 0.00 60.65 57.85 2ja8 h LYS 55 Cb 0.26 0.00 -0.12 0.00 -1.58 0.00 0.00 32.23 30.78 2ja8 h LYS 55 CO 0.00 0.00 0.50 0.08 -1.08 0.00 0.00 179.45 178.95 2ja8 s VAL 56 N -3.14 4.48 0.36 0.50 1.01 0.21 -1.16 120.40 122.66 2ja8 s VAL 56 Ca 0.10 0.35 0.11 0.00 0.00 0.00 0.00 61.98 62.53 2ja8 s VAL 56 Cb 0.11 -4.46 0.10 0.00 0.00 0.00 0.00 36.38 32.13 2ja8 s VAL 56 CO 0.59 -0.97 1.84 -0.07 0.00 0.00 0.00 175.10 176.48 2ja8 h LEU 57 N 10.66 0.11 -7.00 3.92 3.38 0.13 -3.46 115.31 123.06 2ja8 h LEU 57 Ca -0.26 -0.03 -0.02 0.00 0.09 0.00 0.00 57.88 57.66 2ja8 h LEU 57 Cb 1.08 -0.03 -0.21 0.00 0.09 0.00 0.00 40.66 41.58 2ja8 h LEU 57 CO 1.04 0.42 0.26 0.12 0.09 0.00 0.00 178.44 180.37 2ja8 s PHE 58 N -4.35 -0.64 -0.30 1.13 5.36 -0.77 -4.94 117.98 113.47 2ja8 s PHE 58 Ca -0.04 1.34 -0.13 0.00 -0.96 0.00 0.00 56.93 57.14 2ja8 s PHE 58 Cb 0.15 0.36 0.15 0.00 -0.34 0.00 0.00 43.02 43.34 2ja8 s PHE 58 CO 0.74 -0.44 0.87 0.00 -1.46 0.00 0.00 175.22 174.92 2ja8 s ALA 59 N -0.43 -2.48 0.17 11.12 0.00 -1.26 0.13 121.76 129.02 2ja8 s ALA 59 Ca -0.04 2.14 -0.05 0.00 0.00 0.00 0.00 51.96 54.01 2ja8 s ALA 59 Cb -0.03 -1.97 -0.03 0.00 0.00 0.00 0.00 23.12 21.10 2ja8 s ALA 59 CO 0.03 -0.96 0.20 0.00 0.00 0.00 0.00 175.76 175.03 2ja8 s ALA 60 N 2.62 0.52 0.27 0.00 0.00 -1.09 -4.94 121.76 119.13 2ja8 s ALA 60 Ca -0.03 -1.26 -0.03 0.00 0.00 0.00 0.00 51.96 50.63 2ja8 s ALA 60 Cb -0.08 1.01 -0.02 0.00 0.00 0.00 0.00 23.12 24.03 2ja8 s ALA 60 CO -0.18 -0.61 0.34 1.52 0.00 0.00 0.00 175.76 176.83 2ja8 s TYR 61 N -4.04 1.01 -0.15 0.00 -0.00 -1.26 -1.28 117.35 111.62 2ja8 s TYR 61 Ca 0.25 -1.23 -0.30 0.00 -0.00 0.00 0.00 57.07 55.79 2ja8 s TYR 61 Cb 0.05 -0.25 0.13 0.00 -0.00 0.00 0.00 41.96 41.88 2ja8 s TYR 61 CO 0.04 -0.90 0.99 -1.59 -0.00 0.00 0.00 175.55 174.09 2ja8 s LYS 62 N -3.71 0.61 -0.28 -3.49 -2.85 -0.68 -5.00 119.74 104.35 2ja8 s LYS 62 Ca 0.33 0.11 -0.12 0.00 -1.00 0.00 0.00 55.97 55.29 2ja8 s LYS 62 Cb 0.02 0.29 -0.05 0.00 -2.06 0.00 0.00 37.83 36.03 2ja8 s LYS 62 CO 0.16 -0.20 0.23 0.14 0.10 0.00 0.00 175.35 175.78 2ja8 s VAL 63 N -1.25 5.28 0.21 1.79 -7.23 -1.26 -1.85 120.40 116.09 2ja8 s VAL 63 Ca -0.01 0.25 -0.08 0.00 -1.81 0.00 0.00 61.98 60.32 2ja8 s VAL 63 Cb -0.00 -3.57 0.15 0.00 0.56 0.00 0.00 36.38 33.52 2ja8 s VAL 63 CO 0.01 0.23 1.80 -0.33 -0.31 0.00 0.00 175.10 176.49 2ja8 h GLU 64 N 8.33 0.63 -1.67 4.82 4.39 -1.92 -3.44 114.58 125.73 2ja8 h GLU 64 Ca -0.34 -0.04 0.09 0.00 0.34 0.00 0.00 59.36 59.41 2ja8 h GLU 64 Cb 1.18 -0.14 -0.25 0.00 -0.10 0.00 0.00 28.75 29.44 2ja8 h GLU 64 CO 0.57 0.42 0.26 -1.58 -1.16 0.00 0.00 179.01 177.52 2ja8 s HIS 65 N -6.08 -0.73 0.49 4.33 5.04 -1.26 -5.06 115.29 112.01 2ja8 s HIS 65 Ca -0.13 1.46 0.40 0.00 -1.54 0.00 0.00 55.06 55.26 2ja8 s HIS 65 Cb 0.17 0.44 1.61 0.00 0.04 0.00 0.00 32.58 34.83 2ja8 s HIS 65 CO 0.76 -0.36 1.57 -0.35 -2.34 0.00 0.00 174.74 174.02 2ja8 n PRO 66 N 3.95 -0.02 0.25 2.88 -0.04 -1.26 -1.58 135.00 139.18 2ja8 n PRO 66 Ca -0.19 1.19 0.08 0.00 -0.04 0.00 0.00 63.50 64.55 2ja8 n PRO 66 Cb 0.58 -2.50 0.63 0.00 -0.04 0.00 0.00 33.50 32.16 2ja8 n PRO 66 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 2ja8 h PHE 67 N 0.00 0.00 -3.46 0.54 0.05 -2.00 -3.43 116.94 108.63 2ja8 h PHE 67 Ca 0.91 0.00 -0.67 0.00 3.82 0.00 0.00 57.97 62.03 2ja8 h PHE 67 Cb 3.26 0.00 -0.15 0.00 2.00 0.00 0.00 35.95 41.06 2ja8 h PHE 67 CO -0.00 0.07 -0.67 -0.06 -0.18 0.00 0.00 178.31 177.47 2ja8 s PHE 68 N -4.82 2.99 -0.52 -0.55 2.99 -0.61 -5.08 117.98 112.38 2ja8 s PHE 68 Ca -0.04 0.03 -0.20 0.00 0.00 0.00 0.00 56.93 56.71 2ja8 s PHE 68 Cb 0.16 -1.64 0.06 0.00 0.00 0.00 0.00 43.02 41.60 2ja8 s PHE 68 CO 0.66 0.43 0.69 0.00 -0.00 0.00 0.00 175.22 176.99 2ja8 s ALA 69 N -1.06 3.35 0.00 5.36 0.00 -1.26 -4.79 121.76 123.36 2ja8 s ALA 69 Ca 0.19 -1.68 0.00 0.00 0.00 0.00 0.00 51.96 50.47 2ja8 s ALA 69 Cb -0.11 -3.43 0.00 0.00 0.00 0.00 0.00 23.12 19.58 2ja8 s ALA 69 CO 0.09 -2.10 0.00 2.89 0.00 0.00 0.00 175.76 176.65 2ja8 n ARG 70 N 6.42 0.00 -3.50 0.00 1.85 -0.38 -1.81 116.66 119.23 2ja8 n ARG 70 Ca -0.05 0.00 -0.14 0.00 -1.00 0.00 0.00 57.85 56.66 2ja8 n ARG 70 Cb 0.46 0.00 -0.04 0.00 -1.05 0.00 0.00 32.46 31.82 2ja8 n ARG 70 CO 0.00 0.00 0.00 -0.59 -0.01 0.00 0.00 177.63 177.03 2ja8 s PHE 71 N -2.00 -0.52 -0.14 2.89 -0.12 -0.72 -4.28 117.98 113.10 2ja8 s PHE 71 Ca 0.00 0.56 -0.05 0.00 -0.05 0.00 0.00 56.93 57.40 2ja8 s PHE 71 Cb 0.00 0.44 -0.04 0.00 -0.63 0.00 0.00 43.02 42.79 2ja8 s PHE 71 CO 0.00 -0.72 0.04 0.15 -0.05 0.00 0.00 175.22 174.64 2ja8 s LYS 72 N -2.68 3.52 -0.13 1.99 1.02 -0.77 -0.03 119.74 122.66 2ja8 s LYS 72 Ca -0.04 -0.36 0.03 0.00 0.02 0.00 0.00 55.97 55.61 2ja8 s LYS 72 Cb -0.01 -3.02 0.00 0.00 -0.52 0.00 0.00 37.83 34.29 2ja8 s LYS 72 CO -0.03 0.48 -0.21 -1.17 -0.92 0.00 0.00 175.35 173.50 2ja8 s LEU 73 N -0.25 2.18 -0.14 3.17 2.96 0.15 -1.68 118.68 125.07 2ja8 s LEU 73 Ca 0.07 -0.56 -0.04 0.00 -0.22 0.00 0.00 54.13 53.39 2ja8 s LEU 73 Cb -0.12 -1.46 -0.03 0.00 0.50 0.00 0.00 46.19 45.08 2ja8 s LEU 73 CO 0.02 0.11 -0.01 -0.60 -1.32 0.00 0.00 176.35 174.55 2ja8 s ARG 74 N 0.63 3.51 -0.06 1.98 3.52 -0.41 0.69 118.95 128.81 2ja8 s ARG 74 Ca -0.11 -0.46 0.01 0.00 -0.13 0.00 0.00 55.73 55.03 2ja8 s ARG 74 Cb -0.16 -2.92 0.02 0.00 -1.56 0.00 0.00 34.95 30.33 2ja8 s ARG 74 CO 0.02 0.38 -0.05 0.42 -0.81 0.00 0.00 175.30 175.26 2ja8 s ILE 75 N -0.00 0.68 -0.04 4.11 1.01 -0.29 -2.67 121.20 124.00 2ja8 s ILE 75 Ca 0.02 -0.17 0.06 0.00 0.00 0.00 0.00 60.65 60.56 2ja8 s ILE 75 Cb -0.13 -0.70 -0.01 0.00 0.01 0.00 0.00 42.46 41.63 2ja8 s ILE 75 CO 0.02 0.27 -0.22 -1.58 0.00 0.00 0.00 174.94 173.43 2ja8 s GLN 76 N 1.14 2.09 0.28 2.79 0.74 0.12 -0.68 119.66 126.14 2ja8 s GLN 76 Ca -0.07 -0.80 0.02 0.00 0.05 0.00 0.00 55.36 54.56 2ja8 s GLN 76 Cb -0.14 -1.87 -0.04 0.00 1.10 0.00 0.00 33.01 32.06 2ja8 s GLN 76 CO -0.01 0.39 0.15 0.95 -0.55 0.00 0.00 175.29 176.22 2ja8 s THR 77 N -0.26 0.31 0.18 -0.34 -4.23 -1.25 0.16 115.64 110.22 2ja8 s THR 77 Ca 0.01 -2.00 -0.30 0.00 -1.18 0.00 0.00 61.69 58.22 2ja8 s THR 77 Cb -0.11 -2.53 -0.09 0.00 1.34 0.00 0.00 72.50 71.11 2ja8 s THR 77 CO 0.02 0.00 1.32 -0.89 -0.54 0.00 0.00 174.62 174.53 2ja8 s THR 78 N -3.70 3.24 0.40 3.99 2.01 -0.31 -4.73 115.64 116.54 2ja8 s THR 78 Ca 0.37 0.99 -0.23 0.00 0.31 0.00 0.00 61.69 63.14 2ja8 s THR 78 Cb 0.06 -3.64 -0.13 0.00 0.01 0.00 0.00 72.50 68.80 2ja8 s THR 78 CO 0.16 0.14 0.46 1.21 -0.69 0.00 0.00 174.62 175.90 2ja8 n GLU 79 N 2.87 0.44 -1.00 4.92 2.13 -1.26 -2.24 120.64 126.49 2ja8 n GLU 79 Ca 0.07 0.16 0.00 0.00 0.66 0.00 0.00 57.16 58.05 2ja8 n GLU 79 Cb 0.43 -1.38 0.00 0.00 0.27 0.00 0.00 31.44 30.76 2ja8 n GLU 79 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2ja8 n GLY 80 N 1.90 0.53 2.77 8.31 0.00 -1.26 -5.00 105.19 112.45 2ja8 n GLY 80 Ca 0.12 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.86 2ja8 n GLY 80 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2ja8 s TYR 81 N -2.18 1.25 -0.04 1.61 6.04 -0.95 -5.12 117.35 117.96 2ja8 s TYR 81 Ca 0.00 -1.01 -0.30 0.00 0.04 0.00 0.00 57.07 55.80 2ja8 s TYR 81 Cb 0.00 -1.12 -0.04 0.00 -1.04 0.00 0.00 41.96 39.76 2ja8 s TYR 81 CO 0.00 -0.64 1.31 0.34 -1.54 0.00 0.00 175.55 175.03 2ja8 s ASP 82 N 1.78 6.94 0.53 4.32 -1.08 -1.26 -4.62 116.67 123.27 2ja8 s ASP 82 Ca -0.02 1.95 0.19 0.00 -0.52 0.00 0.00 52.55 54.15 2ja8 s ASP 82 Cb -0.17 -2.56 1.36 0.00 -1.46 0.00 0.00 42.92 40.09 2ja8 s ASP 82 CO -0.08 -0.68 2.15 1.55 0.52 0.00 0.00 175.17 178.64 2ja8 h PRO 83 N 7.78 0.00 -0.50 4.34 0.13 -1.95 -0.51 132.00 141.30 2ja8 h PRO 83 Ca -0.35 0.00 0.09 0.00 -0.87 0.00 0.00 66.00 64.87 2ja8 h PRO 83 Cb 1.16 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.22 2ja8 h PRO 83 CO 0.90 0.02 0.08 0.87 -0.23 0.00 0.00 178.00 179.65 2ja8 h LYS 84 N 0.00 0.21 0.08 0.86 1.57 -1.96 0.54 116.57 117.86 2ja8 h LYS 84 Ca -0.00 -0.01 0.02 0.00 -1.87 0.00 0.00 60.65 58.79 2ja8 h LYS 84 Cb 0.04 -0.05 -0.04 0.00 0.08 0.00 0.00 32.23 32.27 2ja8 h LYS 84 CO 0.00 0.14 -0.25 -0.44 -0.57 0.00 0.00 179.45 178.33 2ja8 h ASP 85 N 0.21 -0.73 -0.97 0.86 3.32 -1.48 -0.70 116.42 116.93 2ja8 h ASP 85 Ca 0.25 0.09 0.22 0.00 0.02 0.00 0.00 57.03 57.61 2ja8 h ASP 85 Cb 0.35 0.28 -0.12 0.00 0.22 0.00 0.00 39.33 40.07 2ja8 h ASP 85 CO -0.35 -0.34 0.54 0.00 -1.72 0.00 0.00 179.24 177.38 2ja8 h ALA 86 N 0.34 1.64 -0.37 3.45 0.00 -0.74 0.60 119.26 124.18 2ja8 h ALA 86 Ca 0.04 0.12 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 2ja8 h ALA 86 Cb 0.48 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 2ja8 h ALA 86 CO -0.17 -0.23 0.22 1.25 0.00 0.00 0.00 179.25 180.32 2ja8 h LEU 87 N 0.58 0.44 0.00 0.00 5.85 0.14 -2.03 115.31 120.28 2ja8 h LEU 87 Ca 0.60 -0.05 0.00 0.00 0.84 0.00 0.00 57.88 59.27 2ja8 h LEU 87 Cb 1.08 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 42.00 2ja8 h LEU 87 CO -0.46 0.36 0.00 0.29 -0.34 0.00 0.00 178.44 178.29 2ja8 n LYS 88 N -4.80 0.00 -0.16 1.25 5.02 0.20 -2.12 118.16 117.56 2ja8 n LYS 88 Ca -0.00 0.35 -0.04 0.00 -2.02 0.00 0.00 58.31 56.59 2ja8 n LYS 88 Cb 0.05 -1.10 -0.04 0.00 -0.02 0.00 0.00 35.03 33.92 2ja8 n LYS 88 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2ja8 n ASN 89 N -1.09 -0.41 -0.61 4.39 3.02 -0.90 0.13 115.26 119.79 2ja8 n ASN 89 Ca 0.00 1.15 0.46 0.00 -0.03 0.00 0.00 54.58 56.16 2ja8 n ASN 89 Cb 0.00 -0.32 0.72 0.00 -0.61 0.00 0.00 39.78 39.56 2ja8 n ASN 89 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2ja8 n ALA 90 N -3.08 1.63 -0.06 5.41 0.00 -0.76 0.21 120.51 123.85 2ja8 n ALA 90 Ca 0.01 0.61 -0.16 0.00 0.00 0.00 0.00 53.44 53.90 2ja8 n ALA 90 Cb 0.10 -1.01 -0.13 0.00 0.00 0.00 0.00 19.45 18.41 2ja8 n ALA 90 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2ja8 h ASN 92 N -0.92 -0.95 -0.78 0.00 2.35 0.34 0.19 115.58 115.81 2ja8 h ASN 92 Ca -0.09 0.17 0.16 0.00 -0.55 0.00 0.00 56.30 55.99 2ja8 h ASN 92 Cb 1.14 0.45 -0.15 0.00 0.05 0.00 0.00 38.32 39.81 2ja8 h ASN 92 CO -0.02 -0.30 -0.18 -1.28 -1.65 0.00 0.00 177.43 173.99 2ja8 h SER 93 N -0.25 -0.70 0.14 5.81 0.87 -0.36 0.51 113.55 119.57 2ja8 h SER 93 Ca 0.16 0.23 0.01 0.00 -1.23 0.00 0.00 61.79 60.97 2ja8 h SER 93 Cb 0.51 0.48 -0.03 0.00 -0.44 0.00 0.00 62.40 62.92 2ja8 h SER 93 CO -0.48 -0.25 -0.23 0.40 -0.53 0.00 0.00 176.83 175.74 2ja8 h ILE 94 N 0.01 0.49 0.49 2.23 2.04 -0.66 0.83 117.51 122.94 2ja8 h ILE 94 Ca 0.38 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 66.23 2ja8 h ILE 94 Cb 0.59 0.49 -0.02 0.00 -0.74 0.00 0.00 36.82 37.14 2ja8 h ILE 94 CO -0.80 0.00 -0.51 0.40 0.00 0.00 0.00 178.15 177.24 2ja8 h ILE 95 N -0.44 0.00 -0.94 -0.67 2.04 0.71 -0.95 117.51 117.26 2ja8 h ILE 95 Ca 0.02 0.00 0.23 0.00 1.00 0.00 0.00 64.86 66.11 2ja8 h ILE 95 Cb 0.45 0.00 -0.17 0.00 -0.74 0.00 0.00 36.82 36.36 2ja8 h ILE 95 CO -0.11 0.00 -0.06 0.78 0.00 0.00 0.00 178.15 178.76 2ja8 h ASN 96 N -1.00 -0.60 -0.02 1.72 2.35 0.20 0.60 115.58 118.84 2ja8 h ASN 96 Ca -0.06 0.27 -0.00 0.00 -0.55 0.00 0.00 56.30 55.96 2ja8 h ASN 96 Cb 0.87 0.50 -0.00 0.00 0.05 0.00 0.00 38.32 39.74 2ja8 h ASN 96 CO -0.07 -0.31 0.01 0.11 -1.65 0.00 0.00 177.43 175.51 2ja8 h LYS 97 N 0.02 0.03 -0.32 0.81 1.57 -0.34 -2.28 116.57 116.05 2ja8 h LYS 97 Ca 0.52 -0.00 0.04 0.00 -1.87 0.00 0.00 60.65 59.33 2ja8 h LYS 97 Cb 0.97 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 33.24 2ja8 h LYS 97 CO -0.90 0.12 0.12 -0.07 -0.57 0.00 0.00 179.45 178.14 2ja8 h LEU 98 N -0.07 0.13 -1.03 2.94 3.38 0.94 0.13 115.31 121.72 2ja8 h LEU 98 Ca 0.01 0.03 0.20 0.00 0.09 0.00 0.00 57.88 58.21 2ja8 h LEU 98 Cb 0.10 0.02 -0.11 0.00 0.09 0.00 0.00 40.66 40.76 2ja8 h LEU 98 CO -0.00 0.11 0.61 1.23 0.09 0.00 0.00 178.44 180.48 2ja8 h GLY 99 N 0.26 1.76 0.68 0.83 0.00 0.19 0.95 103.07 107.74 2ja8 h GLY 99 Ca 0.14 -0.34 -0.02 0.00 0.00 0.00 0.00 47.33 47.11 2ja8 h GLY 99 CO -0.15 -0.09 -0.15 0.00 0.00 0.00 0.00 176.54 176.15 2ja8 h ALA 100 N 1.66 -0.43 -0.89 3.60 0.00 -0.64 -2.88 119.26 119.67 2ja8 h ALA 100 Ca 0.59 -0.18 0.09 0.00 0.00 0.00 0.00 54.91 55.41 2ja8 h ALA 100 Cb 0.97 0.17 -0.07 0.00 0.00 0.00 0.00 17.79 18.85 2ja8 h ALA 100 CO -0.39 -0.58 0.54 1.25 0.00 0.00 0.00 179.25 180.08 2ja8 h LEU 101 N -0.76 0.80 0.12 0.00 6.46 0.10 0.46 115.31 122.49 2ja8 h LEU 101 Ca -0.04 0.04 0.02 0.00 -0.12 0.00 0.00 57.88 57.77 2ja8 h LEU 101 Cb 0.50 -0.12 -0.05 0.00 -0.73 0.00 0.00 40.66 40.27 2ja8 h LEU 101 CO 0.07 0.46 -0.50 0.50 -0.62 0.00 0.00 178.44 178.36 2ja8 h LYS 102 N 0.91 -0.70 0.26 1.25 3.64 0.83 -1.21 116.57 121.55 2ja8 h LYS 102 Ca 0.42 0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.84 2ja8 h LYS 102 Cb 0.35 0.16 -0.00 0.00 -0.41 0.00 0.00 32.23 32.32 2ja8 h LYS 102 CO -0.23 -0.46 -0.18 1.15 -2.27 0.00 0.00 179.45 177.45 2ja8 h THR 103 N -0.72 0.00 0.00 1.00 2.02 -1.07 -2.38 112.91 111.75 2ja8 h THR 103 Ca 0.01 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.19 2ja8 h THR 103 Cb 0.74 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.15 2ja8 h THR 103 CO -0.28 0.00 0.02 0.59 0.37 0.00 0.00 175.52 176.22 2ja8 n ASN 104 N -3.40 0.00 -0.11 4.18 3.02 0.15 -0.66 115.26 118.45 2ja8 n ASN 104 Ca -0.05 0.04 -0.19 0.00 -0.03 0.00 0.00 54.58 54.36 2ja8 n ASN 104 Cb 0.18 -0.04 -0.06 0.00 -0.61 0.00 0.00 39.78 39.24 2ja8 n ASN 104 CO 0.00 0.00 0.00 0.33 -2.62 0.00 0.00 177.26 174.97 2ja8 n PHE 105 N -0.89 0.13 -0.01 3.10 7.35 -0.46 -4.27 117.46 122.40 2ja8 n PHE 105 Ca 0.00 0.06 0.19 0.00 -0.76 0.00 0.00 57.45 56.94 2ja8 n PHE 105 Cb 0.02 -0.77 0.67 0.00 0.35 0.00 0.00 39.48 39.74 2ja8 n PHE 105 CO 0.00 0.00 0.00 0.93 -0.76 0.00 0.00 176.76 176.93 2ja8 h GLU 106 N -1.00 0.05 0.59 -4.13 5.08 -0.39 -0.77 114.58 114.01 2ja8 h GLU 106 Ca -0.33 -0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.01 2ja8 h GLU 106 Cb 1.25 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.48 2ja8 h GLU 106 CO -0.20 0.03 -0.45 1.15 -1.00 0.00 0.00 179.01 178.54 2ja8 h THR 107 N 0.05 0.10 -0.68 1.13 2.02 -1.48 -1.97 112.91 112.08 2ja8 h THR 107 Ca 0.26 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.46 2ja8 h THR 107 Cb 0.96 0.10 -0.04 0.00 -1.74 0.00 0.00 68.15 67.43 2ja8 h THR 107 CO -0.02 0.00 0.45 -0.33 0.37 0.00 0.00 175.52 175.99 2ja8 h GLU 108 N -1.01 0.84 -0.06 6.66 4.39 -1.44 -3.16 114.58 120.79 2ja8 h GLU 108 Ca -0.07 -0.05 -0.00 0.00 0.34 0.00 0.00 59.36 59.58 2ja8 h GLU 108 Cb 0.85 -0.19 -0.00 0.00 -0.10 0.00 0.00 28.75 29.31 2ja8 h GLU 108 CO 0.01 0.55 0.04 2.35 -1.16 0.00 0.00 179.01 180.81 2ja8 h TRP 109 N 0.86 0.08 0.00 4.33 2.91 -0.67 -3.36 115.95 120.10 2ja8 h TRP 109 Ca 0.26 -0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.28 2ja8 h TRP 109 Cb -0.01 -0.03 0.00 0.00 -0.51 0.00 0.00 29.16 28.62 2ja8 h TRP 109 CO -0.00 0.10 0.19 0.09 -1.03 0.00 0.00 178.44 177.78 2ja8 n ASN 110 N -5.02 0.00 -2.71 2.65 3.02 -0.79 -4.55 115.26 107.86 2ja8 n ASN 110 Ca -0.06 -0.67 -0.07 0.00 -0.03 0.00 0.00 54.58 53.75 2ja8 n ASN 110 Cb 0.05 0.00 0.10 0.00 -0.61 0.00 0.00 39.78 39.32 2ja8 n ASN 110 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 2ja8 n LEU 111 N 2.05 -1.95 0.00 3.41 4.77 -1.26 -5.11 117.00 118.91 2ja8 n LEU 111 Ca 0.00 -3.08 0.00 0.00 -0.03 0.00 0.00 56.01 52.90 2ja8 n LEU 111 Cb 0.00 0.92 0.00 0.00 -2.33 0.00 0.00 43.42 42.01 2ja8 n LEU 111 CO 0.09 1.90 0.00 0.00 -1.33 0.00 0.00 177.39 178.05 2ja8 n GLN 112 N 0.34 0.00 -0.78 3.23 10.64 -1.26 -5.21 117.38 124.34 2ja8 n GLN 112 Ca 0.01 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.18 2ja8 n GLN 112 Cb 0.72 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 30.10 2ja8 n GLN 112 CO 0.00 0.00 0.00 0.25 -1.83 0.00 0.00 177.06 175.48 2ja8 n THR 113 N 0.00 0.00 -0.77 -0.39 -2.24 -1.26 -5.26 114.28 104.36 2ja8 n THR 113 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2ja8 n THR 113 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 2ja8 n THR 113 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39