#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ka7 n LYS 2 N 0.00 -1.24 -2.88 3.17 4.81 0.62 -4.98 118.16 117.66 2ka7 n LYS 2 Ca 0.00 0.71 -0.08 0.00 -0.87 0.00 0.00 58.31 58.07 2ka7 n LYS 2 Cb 0.00 -3.79 -0.01 0.00 0.02 0.00 0.00 35.03 31.25 2ka7 n LYS 2 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2ka7 n MET 3 N -3.36 0.51 -3.67 1.64 0.00 -0.27 -5.02 117.12 106.95 2ka7 n MET 3 Ca -0.14 -1.55 -0.10 0.00 0.00 0.00 0.00 57.70 55.90 2ka7 n MET 3 Cb 0.60 1.63 -0.11 0.00 0.00 0.00 0.00 33.22 35.34 2ka7 n MET 3 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 175.97 176.18 2ka7 s LYS 4 N -2.33 0.29 0.49 3.17 2.20 -1.26 -1.24 119.74 121.06 2ka7 s LYS 4 Ca 0.15 0.89 0.05 0.00 -0.36 0.00 0.00 55.97 56.69 2ka7 s LYS 4 Cb -0.01 0.15 -0.01 0.00 -1.51 0.00 0.00 37.83 36.44 2ka7 s LYS 4 CO 0.11 -0.23 0.20 0.15 -0.36 0.00 0.00 175.35 175.22 2ka7 s LYS 5 N 2.21 2.22 0.09 4.03 -0.14 -1.10 -4.41 119.74 122.64 2ka7 s LYS 5 Ca -0.03 -2.07 0.04 0.00 -1.36 0.00 0.00 55.97 52.54 2ka7 s LYS 5 Cb -0.11 -1.88 -0.03 0.00 -1.68 0.00 0.00 37.83 34.12 2ka7 s LYS 5 CO -0.12 -0.36 -0.10 0.71 -0.76 0.00 0.00 175.35 174.72 2ka7 s TYR 6 N -2.74 1.01 0.53 3.18 1.51 -0.11 -1.25 117.35 119.48 2ka7 s TYR 6 Ca 0.28 -0.63 -0.01 0.00 -1.01 0.00 0.00 57.07 55.71 2ka7 s TYR 6 Cb 0.01 -0.56 0.11 0.00 -0.11 0.00 0.00 41.96 41.41 2ka7 s TYR 6 CO 0.16 -0.01 0.73 0.25 -1.11 0.00 0.00 175.55 175.57 2ka7 n THR 7 N 0.74 0.00 -0.94 -0.71 -2.24 -0.13 -1.27 114.28 109.72 2ka7 n THR 7 Ca -0.17 -1.09 0.06 0.00 -2.27 0.00 0.00 64.05 60.58 2ka7 n THR 7 Cb 0.57 -1.08 0.38 0.00 -2.10 0.00 0.00 70.33 68.10 2ka7 n THR 7 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2ka7 n LYS 8 N -2.37 4.53 -0.93 -0.78 5.02 -1.26 -4.25 118.16 118.11 2ka7 n LYS 8 Ca 0.12 -3.13 0.05 0.00 -2.02 0.00 0.00 58.31 53.33 2ka7 n LYS 8 Cb 0.42 -2.21 0.14 0.00 -0.02 0.00 0.00 35.03 33.36 2ka7 n LYS 8 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 2ka7 n THR 9 N 0.38 1.44 -3.60 -0.18 -2.24 -1.26 -5.00 114.28 103.82 2ka7 n THR 9 Ca 0.28 -2.47 -0.24 0.00 -2.27 0.00 0.00 64.05 59.35 2ka7 n THR 9 Cb 1.18 0.19 0.08 0.00 -2.10 0.00 0.00 70.33 69.68 2ka7 n THR 9 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 2ka7 n HIS 10 N -0.55 -2.83 -4.55 4.78 -0.00 -1.26 -4.91 115.22 105.90 2ka7 n HIS 10 Ca 0.15 1.01 -0.24 0.00 -0.00 0.00 0.00 57.72 58.64 2ka7 n HIS 10 Cb 0.85 -5.01 -0.14 0.00 -0.00 0.00 0.00 29.99 25.69 2ka7 n HIS 10 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.34 175.13 2ka7 s GLU 11 N -6.27 1.25 0.30 -0.41 2.02 -1.26 -0.68 118.70 113.65 2ka7 s GLU 11 Ca 0.55 -0.88 0.10 0.00 0.02 0.00 0.00 54.97 54.76 2ka7 s GLU 11 Cb -0.25 -1.34 -0.05 0.00 0.10 0.00 0.00 34.13 32.60 2ka7 s GLU 11 CO 0.73 0.34 -0.07 1.67 0.02 0.00 0.00 175.26 177.95 2ka7 s TRP 12 N -0.81 2.49 -0.28 1.61 1.48 -0.51 -0.96 118.94 121.96 2ka7 s TRP 12 Ca 0.06 -0.35 -0.03 0.00 -1.06 0.00 0.00 56.10 54.72 2ka7 s TRP 12 Cb -0.08 -1.24 0.11 0.00 -1.16 0.00 0.00 33.47 31.10 2ka7 s TRP 12 CO 0.02 0.60 0.18 0.08 -4.06 0.00 0.00 176.95 173.77 2ka7 s VAL 13 N -2.47 -0.18 -1.02 -0.66 1.01 -0.38 -3.18 120.40 113.51 2ka7 s VAL 13 Ca 0.32 -0.63 -0.22 0.00 0.00 0.00 0.00 61.98 61.46 2ka7 s VAL 13 Cb -0.03 -0.95 0.07 0.00 0.00 0.00 0.00 36.38 35.47 2ka7 s VAL 13 CO 0.18 -0.61 1.40 -0.44 0.00 0.00 0.00 175.10 175.63 2ka7 s SER 14 N 2.19 6.56 -0.56 3.32 0.01 -0.30 -2.70 113.70 122.22 2ka7 s SER 14 Ca 0.09 -1.67 -0.28 0.00 1.31 0.00 0.00 55.95 55.40 2ka7 s SER 14 Cb -0.15 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.55 2ka7 s SER 14 CO -0.34 -1.38 1.55 -0.63 0.41 0.00 0.00 173.24 172.86 2ka7 s ILE 15 N 4.39 3.65 0.00 1.44 1.09 -0.37 -1.55 121.20 129.84 2ka7 s ILE 15 Ca 0.44 0.53 0.00 0.00 -1.10 0.00 0.00 60.65 60.51 2ka7 s ILE 15 Cb -0.01 -4.26 0.00 0.00 -1.06 0.00 0.00 42.46 37.14 2ka7 s ILE 15 CO -0.08 -1.06 0.00 1.21 -0.10 0.00 0.00 174.94 174.91 2ka7 n GLU 16 N 8.79 3.47 0.34 2.79 4.07 -0.43 -1.11 120.64 138.56 2ka7 n GLU 16 Ca 0.15 0.00 -0.14 0.00 -0.06 0.00 0.00 57.16 57.11 2ka7 n GLU 16 Cb 0.50 0.00 -0.06 0.00 -0.06 0.00 0.00 31.44 31.81 2ka7 n GLU 16 CO 0.00 0.00 0.00 0.22 -0.06 0.00 0.00 177.13 177.29 2ka7 h ASP 17 N 0.00 -0.75 0.00 4.31 1.82 -1.94 0.18 116.42 120.04 2ka7 h ASP 17 Ca 0.00 0.03 0.00 0.00 -0.39 0.00 0.00 57.03 56.67 2ka7 h ASP 17 Cb 0.00 0.19 0.00 0.00 0.68 0.00 0.00 39.33 40.20 2ka7 h ASP 17 CO 0.00 -0.44 0.00 0.29 -1.61 0.00 0.00 179.24 177.48 2ka7 n LYS 18 N -4.92 -0.01 -4.93 0.28 5.02 -1.26 -4.33 118.16 108.00 2ka7 n LYS 18 Ca -0.11 -0.19 -0.28 0.00 -2.02 0.00 0.00 58.31 55.71 2ka7 n LYS 18 Cb 0.35 -0.56 -0.17 0.00 -0.02 0.00 0.00 35.03 34.63 2ka7 n LYS 18 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2ka7 s VAL 19 N -0.03 1.61 -0.12 -0.18 1.01 -1.26 -1.72 120.40 119.71 2ka7 s VAL 19 Ca 0.00 -0.78 -0.07 0.00 0.00 0.00 0.00 61.98 61.13 2ka7 s VAL 19 Cb 0.00 -1.40 -0.04 0.00 0.00 0.00 0.00 36.38 34.94 2ka7 s VAL 19 CO 0.00 0.46 0.14 0.00 0.00 0.00 0.00 175.10 175.69 2ka7 s ALA 20 N 0.28 3.86 0.13 5.51 0.00 -0.21 -1.31 121.76 130.01 2ka7 s ALA 20 Ca -0.11 -0.64 -0.24 0.00 0.00 0.00 0.00 51.96 50.96 2ka7 s ALA 20 Cb -0.15 -1.96 -0.07 0.00 0.00 0.00 0.00 23.12 20.94 2ka7 s ALA 20 CO 0.05 0.62 0.74 0.99 0.00 0.00 0.00 175.76 178.15 2ka7 s THR 21 N -1.03 4.50 -0.16 0.00 2.01 -0.60 -1.40 115.64 118.96 2ka7 s THR 21 Ca 0.15 1.60 -0.01 0.00 0.31 0.00 0.00 61.69 63.74 2ka7 s THR 21 Cb -0.12 -4.09 -0.01 0.00 0.01 0.00 0.00 72.50 68.29 2ka7 s THR 21 CO 0.04 0.50 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.68 2ka7 s VAL 22 N -0.95 3.14 0.23 3.82 1.01 -0.12 -1.16 120.40 126.37 2ka7 s VAL 22 Ca 0.35 -0.61 0.01 0.00 0.00 0.00 0.00 61.98 61.73 2ka7 s VAL 22 Cb -0.22 -2.36 -0.05 0.00 0.00 0.00 0.00 36.38 33.75 2ka7 s VAL 22 CO 0.24 0.49 0.07 -0.83 0.00 0.00 0.00 175.10 175.08 2ka7 s GLY 23 N 0.76 1.58 0.45 4.51 0.00 -1.19 -1.56 107.32 111.87 2ka7 s GLY 23 Ca -0.04 -1.78 -0.09 0.00 0.00 0.00 0.00 44.72 42.80 2ka7 s GLY 23 CO 0.01 -1.56 0.81 -0.26 0.00 0.00 0.00 173.10 172.10 2ka7 s ILE 24 N -3.76 4.80 0.93 0.90 -4.36 -1.26 -1.42 121.20 117.03 2ka7 s ILE 24 Ca 0.34 0.56 -0.13 0.00 -0.26 0.00 0.00 60.65 61.16 2ka7 s ILE 24 Cb 0.07 -3.78 0.20 0.00 1.25 0.00 0.00 42.46 40.21 2ka7 s ILE 24 CO 0.11 -0.67 1.28 0.42 0.24 0.00 0.00 174.94 176.32 2ka7 s THR 25 N -2.55 2.01 0.21 8.37 -4.23 0.15 -4.49 115.64 115.11 2ka7 s THR 25 Ca 0.51 -0.13 -0.07 0.00 -1.18 0.00 0.00 61.69 60.82 2ka7 s THR 25 Cb -0.10 -2.88 0.13 0.00 1.34 0.00 0.00 72.50 70.98 2ka7 s THR 25 CO 0.37 0.00 1.74 0.78 -0.54 0.00 0.00 174.62 176.97 2ka7 h ASN 26 N -1.48 1.04 0.07 3.99 4.21 -1.92 -2.19 115.58 119.30 2ka7 h ASN 26 Ca -0.42 -0.21 -0.01 0.00 1.21 0.00 0.00 56.30 56.87 2ka7 h ASN 26 Cb 1.23 -0.27 -0.00 0.00 -1.12 0.00 0.00 38.32 38.15 2ka7 h ASN 26 CO 0.35 0.99 -0.03 -0.74 -1.29 0.00 0.00 177.43 176.71 2ka7 h HIS 27 N 1.05 0.00 0.34 1.19 2.76 -1.94 -2.40 115.15 116.14 2ka7 h HIS 27 Ca 0.22 0.00 -0.02 0.00 -2.20 0.00 0.00 60.37 58.38 2ka7 h HIS 27 Cb 0.35 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.31 2ka7 h HIS 27 CO 0.03 0.03 -0.16 0.00 -1.30 0.00 0.00 177.93 176.53 2ka7 h ALA 28 N 1.97 -0.45 -0.53 5.26 0.00 -1.65 -3.26 119.26 120.59 2ka7 h ALA 28 Ca -0.00 -0.19 0.14 0.00 0.00 0.00 0.00 54.91 54.86 2ka7 h ALA 28 Cb 0.08 0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 2ka7 h ALA 28 CO 0.00 -0.51 0.38 -0.56 0.00 0.00 0.00 179.25 178.56 2ka7 h GLN 29 N -0.94 0.09 -0.76 0.00 -0.00 -1.24 -2.29 115.11 109.97 2ka7 h GLN 29 Ca -0.05 -0.01 0.01 0.00 -0.00 0.00 0.00 58.65 58.61 2ka7 h GLN 29 Cb 0.52 -0.02 -0.04 0.00 -0.00 0.00 0.00 27.48 27.94 2ka7 h GLN 29 CO 0.08 0.06 0.50 1.05 -0.00 0.00 0.00 178.83 180.52 2ka7 h GLU 30 N 0.09 1.01 0.00 0.06 4.11 -1.48 0.81 114.58 119.18 2ka7 h GLU 30 Ca 0.25 -0.06 -0.09 0.00 0.07 0.00 0.00 59.36 59.53 2ka7 h GLU 30 Cb 0.88 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.89 2ka7 h GLU 30 CO -0.02 0.67 -0.43 1.96 0.07 0.00 0.00 179.01 181.26 2ka7 h GLN 31 N 1.04 0.00 0.09 1.06 1.08 -1.52 -3.29 115.11 113.57 2ka7 h GLN 31 Ca 0.28 0.00 -0.24 0.00 -1.45 0.00 0.00 58.65 57.24 2ka7 h GLN 31 Cb -0.12 0.00 0.02 0.00 -0.05 0.00 0.00 27.48 27.34 2ka7 h GLN 31 CO -0.06 0.43 -0.98 -0.07 -0.95 0.00 0.00 178.83 177.19 2ka7 h LEU 32 N 0.00 0.71 0.00 1.46 -0.00 -1.22 -3.49 115.31 112.78 2ka7 h LEU 32 Ca -0.00 -0.83 0.00 0.00 -0.00 0.00 0.00 57.88 57.05 2ka7 h LEU 32 Cb 1.33 -0.22 0.00 0.00 -0.00 0.00 0.00 40.66 41.76 2ka7 h LEU 32 CO 0.06 1.47 0.00 0.61 -0.00 0.00 0.00 178.44 180.57 2ka7 n GLY 33 N 1.35 -0.16 3.68 0.83 0.00 0.21 -4.43 105.19 106.66 2ka7 n GLY 33 Ca -0.13 -1.04 -0.59 0.00 0.00 0.00 0.00 46.02 44.27 2ka7 n GLY 33 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2ka7 n ASP 34 N -1.51 1.86 -4.49 1.61 8.00 -1.26 -4.83 116.55 115.93 2ka7 n ASP 34 Ca 0.00 1.11 -0.25 0.00 0.71 0.00 0.00 54.79 56.36 2ka7 n ASP 34 Cb 0.00 -1.08 -0.10 0.00 -0.02 0.00 0.00 41.12 39.92 2ka7 n ASP 34 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2ka7 s VAL 35 N 2.64 2.66 0.00 2.53 0.11 -1.26 -2.50 120.40 124.57 2ka7 s VAL 35 Ca 0.97 -2.18 0.00 0.00 -2.93 0.00 0.00 61.98 57.84 2ka7 s VAL 35 Cb -1.15 -2.36 0.00 0.00 -1.53 0.00 0.00 36.38 31.34 2ka7 s VAL 35 CO 0.65 -0.30 0.00 1.33 -3.33 0.00 0.00 175.10 173.45 2ka7 n VAL 36 N -0.38 0.00 -3.74 2.04 0.24 -1.25 -2.70 118.33 112.54 2ka7 n VAL 36 Ca -0.08 0.00 -0.13 0.00 -2.04 0.00 0.00 64.34 62.09 2ka7 n VAL 36 Cb 0.58 0.00 -0.08 0.00 -1.47 0.00 0.00 33.84 32.88 2ka7 n VAL 36 CO 0.00 0.00 0.00 -0.47 -2.14 0.00 0.00 176.83 174.22 2ka7 s TYR 37 N -0.61 -0.19 -0.10 6.34 5.04 -0.93 -4.89 117.35 122.02 2ka7 s TYR 37 Ca 0.00 0.21 -0.04 0.00 -2.44 0.00 0.00 57.07 54.80 2ka7 s TYR 37 Cb 0.00 0.12 0.05 0.00 0.35 0.00 0.00 41.96 42.48 2ka7 s TYR 37 CO 0.00 -0.45 0.21 0.08 -1.34 0.00 0.00 175.55 174.05 2ka7 s VAL 38 N -1.80 -0.11 0.18 3.14 1.01 -1.26 -2.21 120.40 119.34 2ka7 s VAL 38 Ca -0.10 0.19 -0.30 0.00 0.00 0.00 0.00 61.98 61.77 2ka7 s VAL 38 Cb -0.03 -0.34 -0.07 0.00 0.00 0.00 0.00 36.38 35.93 2ka7 s VAL 38 CO 0.02 0.08 1.04 -0.62 0.00 0.00 0.00 175.10 175.62 2ka7 s ASP 39 N 1.48 7.38 -0.07 3.32 2.15 0.66 -4.85 116.67 126.74 2ka7 s ASP 39 Ca -0.07 2.01 0.02 0.00 0.43 0.00 0.00 52.55 54.94 2ka7 s ASP 39 Cb -0.11 -2.60 0.02 0.00 -0.30 0.00 0.00 42.92 39.92 2ka7 s ASP 39 CO -0.08 -0.12 -0.10 -0.76 -0.17 0.00 0.00 175.17 173.94 2ka7 s LEU 40 N -0.47 1.52 0.00 -1.34 1.43 -1.26 -3.90 118.68 114.66 2ka7 s LEU 40 Ca 0.47 -0.27 -0.19 0.00 -1.03 0.00 0.00 54.13 53.11 2ka7 s LEU 40 Cb -0.28 -0.76 0.29 0.00 0.03 0.00 0.00 46.19 45.48 2ka7 s LEU 40 CO 0.34 -0.00 0.96 -0.81 0.23 0.00 0.00 176.35 177.07 2ka7 n PRO 41 N 4.01 -3.24 -2.79 1.29 -0.04 -1.18 -5.01 135.00 128.04 2ka7 n PRO 41 Ca -0.22 -1.55 -0.39 0.00 -0.04 0.00 0.00 63.50 61.30 2ka7 n PRO 41 Cb 0.51 -1.53 -0.06 0.00 -0.04 0.00 0.00 33.50 32.38 2ka7 n PRO 41 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 2ka7 s GLU 42 N -5.20 4.76 0.00 0.54 2.12 -1.26 -4.96 118.70 114.70 2ka7 s GLU 42 Ca 0.64 1.41 0.00 0.00 0.36 0.00 0.00 54.97 57.38 2ka7 s GLU 42 Cb -0.07 -3.18 0.00 0.00 0.26 0.00 0.00 34.13 31.14 2ka7 s GLU 42 CO 0.50 0.48 0.17 1.55 -0.54 0.00 0.00 175.26 177.42 2ka7 n VAL 43 N 1.32 0.00 -1.41 3.70 3.14 -1.26 -1.56 118.33 122.25 2ka7 n VAL 43 Ca -0.02 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.36 2ka7 n VAL 43 Cb 0.48 -0.32 0.00 0.00 -1.06 0.00 0.00 33.84 32.94 2ka7 n VAL 43 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2ka7 n GLY 44 N -0.11 -1.16 3.75 7.55 0.00 -1.14 -3.72 105.19 110.35 2ka7 n GLY 44 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 2ka7 n GLY 44 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2ka7 s ARG 45 N 0.00 4.51 0.32 1.61 3.52 -0.60 -4.64 118.95 123.67 2ka7 s ARG 45 Ca 0.00 1.93 -0.16 0.00 -0.13 0.00 0.00 55.73 57.37 2ka7 s ARG 45 Cb 0.00 -3.19 -0.09 0.00 -1.56 0.00 0.00 34.95 30.11 2ka7 s ARG 45 CO 0.00 -0.02 0.75 -1.21 -0.81 0.00 0.00 175.30 174.01 2ka7 s GLU 46 N -0.92 4.04 0.33 5.12 2.02 -1.26 -0.15 118.70 127.88 2ka7 s GLU 46 Ca 0.50 0.72 -0.03 0.00 0.02 0.00 0.00 54.97 56.18 2ka7 s GLU 46 Cb -0.34 -2.46 -0.00 0.00 0.10 0.00 0.00 34.13 31.43 2ka7 s GLU 46 CO 0.41 0.17 0.45 0.14 0.02 0.00 0.00 175.26 176.45 2ka7 s VAL 47 N -1.95 0.00 0.36 2.63 -7.23 -0.28 -4.93 120.40 108.99 2ka7 s VAL 47 Ca 0.54 -1.61 0.04 0.00 -1.81 0.00 0.00 61.98 59.14 2ka7 s VAL 47 Cb -0.11 -2.59 -0.06 0.00 0.56 0.00 0.00 36.38 34.18 2ka7 s VAL 47 CO 0.17 0.00 0.05 -0.54 -0.31 0.00 0.00 175.10 174.48 2ka7 s LYS 48 N -3.20 1.76 0.00 4.82 1.02 -1.26 -2.95 119.74 119.92 2ka7 s LYS 48 Ca 0.30 -2.00 0.00 0.00 0.02 0.00 0.00 55.97 54.30 2ka7 s LYS 48 Cb -0.00 -1.03 0.00 0.00 -0.52 0.00 0.00 37.83 36.28 2ka7 s LYS 48 CO 0.19 -0.19 0.32 0.36 -0.92 0.00 0.00 175.35 175.12 2ka7 n LYS 49 N -0.79 0.34 -2.73 1.68 2.85 -1.25 -3.10 118.16 115.16 2ka7 n LYS 49 Ca -0.04 0.00 -0.08 0.00 -1.05 0.00 0.00 58.31 57.15 2ka7 n LYS 49 Cb 0.67 -1.02 0.07 0.00 -0.65 0.00 0.00 35.03 34.10 2ka7 n LYS 49 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2ka7 n GLY 50 N -0.11 -0.10 2.75 2.58 0.00 -1.00 -4.52 105.19 104.79 2ka7 n GLY 50 Ca 0.00 0.25 -0.25 0.00 0.00 0.00 0.00 46.02 46.02 2ka7 n GLY 50 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2ka7 s GLU 51 N 0.48 0.58 -0.36 1.61 2.56 -1.18 -4.86 118.70 117.53 2ka7 s GLU 51 Ca 0.28 -0.09 -0.27 0.00 0.00 0.00 0.00 54.97 54.89 2ka7 s GLU 51 Cb 0.25 -1.43 0.02 0.00 2.00 0.00 0.00 34.13 34.97 2ka7 s GLU 51 CO -0.17 -0.45 1.00 0.54 -0.56 0.00 0.00 175.26 175.62 2ka7 s VAL 52 N 1.95 4.52 0.00 3.70 0.11 -1.26 -0.30 120.40 129.12 2ka7 s VAL 52 Ca 0.03 1.42 0.00 0.00 -2.93 0.00 0.00 61.98 60.50 2ka7 s VAL 52 Cb -0.14 -4.39 0.00 0.00 -1.53 0.00 0.00 36.38 30.32 2ka7 s VAL 52 CO -0.06 -0.55 0.03 1.33 -3.33 0.00 0.00 175.10 172.51 2ka7 n VAL 53 N 6.01 0.00 -2.75 2.04 0.24 -1.17 -4.91 118.33 117.79 2ka7 n VAL 53 Ca 0.09 0.00 -0.01 0.00 -2.04 0.00 0.00 64.34 62.39 2ka7 n VAL 53 Cb 0.48 1.34 0.08 0.00 -1.47 0.00 0.00 33.84 34.26 2ka7 n VAL 53 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2ka7 n ALA 54 N 0.00 2.72 -0.76 2.33 0.00 -1.26 -3.12 120.51 120.42 2ka7 n ALA 54 Ca 0.00 -2.04 -0.33 0.00 0.00 0.00 0.00 53.44 51.07 2ka7 n ALA 54 Cb 0.27 -0.85 0.14 0.00 0.00 0.00 0.00 19.45 19.01 2ka7 n ALA 54 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2ka7 n SER 55 N -0.93 -2.53 -3.95 0.00 7.64 -1.25 -4.21 113.62 108.38 2ka7 n SER 55 Ca -0.03 0.06 -0.11 0.00 1.01 0.00 0.00 58.87 59.80 2ka7 n SER 55 Cb 0.84 -1.00 -0.12 0.00 -1.01 0.00 0.00 64.21 62.91 2ka7 n SER 55 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 2ka7 s ILE 56 N -2.26 0.12 -0.13 0.44 1.01 -0.26 -0.25 121.20 119.87 2ka7 s ILE 56 Ca 0.54 -0.55 -0.01 0.00 0.00 0.00 0.00 60.65 60.62 2ka7 s ILE 56 Cb -0.14 -0.20 0.04 0.00 0.01 0.00 0.00 42.46 42.17 2ka7 s ILE 56 CO 0.68 -0.27 -0.03 -1.61 0.00 0.00 0.00 174.94 173.71 2ka7 s GLU 57 N -0.86 1.08 0.00 2.79 2.02 -0.94 -0.64 118.70 122.14 2ka7 s GLU 57 Ca -0.09 -0.27 0.00 0.00 0.02 0.00 0.00 54.97 54.63 2ka7 s GLU 57 Cb -0.06 -1.65 0.00 0.00 0.10 0.00 0.00 34.13 32.52 2ka7 s GLU 57 CO -0.00 -0.40 0.00 -1.13 0.02 0.00 0.00 175.26 173.75 2ka7 n SER 58 N 5.00 0.56 -0.35 -0.19 3.41 -0.21 -2.18 113.62 119.66 2ka7 n SER 58 Ca -0.10 -0.77 0.25 0.00 -0.26 0.00 0.00 58.87 57.99 2ka7 n SER 58 Cb 0.49 0.00 0.50 0.00 -0.26 0.00 0.00 64.21 64.94 2ka7 n SER 58 CO 0.00 0.00 0.00 -0.37 -0.16 0.00 0.00 175.04 174.51 2ka7 h VAL 59 N 0.22 0.30 -0.18 -3.33 -1.51 -1.70 -3.28 116.25 106.76 2ka7 h VAL 59 Ca 0.00 -0.10 -0.15 0.00 -1.23 0.00 0.00 66.70 65.22 2ka7 h VAL 59 Cb 0.00 -0.03 -0.14 0.00 -2.13 0.00 0.00 31.29 28.99 2ka7 h VAL 59 CO 0.00 0.06 -0.34 1.17 -1.23 0.00 0.00 177.57 177.22 2ka7 n LYS 60 N -4.96 0.51 -4.15 5.19 0.00 -1.26 -5.16 118.16 108.33 2ka7 n LYS 60 Ca 0.32 -1.43 -0.11 0.00 0.00 0.00 0.00 58.31 57.09 2ka7 n LYS 60 Cb 1.03 -1.01 -0.10 0.00 0.00 0.00 0.00 35.03 34.96 2ka7 n LYS 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2ka7 s ALA 61 N 0.60 0.86 0.20 3.14 0.00 -1.24 -5.15 121.76 120.18 2ka7 s ALA 61 Ca 0.29 -1.49 0.11 0.00 0.00 0.00 0.00 51.96 50.88 2ka7 s ALA 61 Cb 0.18 1.07 -0.04 0.00 0.00 0.00 0.00 23.12 24.32 2ka7 s ALA 61 CO -0.16 -0.55 -0.20 0.00 0.00 0.00 0.00 175.76 174.84 2ka7 s ALA 62 N -4.08 2.64 -0.22 0.00 0.00 -1.26 -1.05 121.76 117.79 2ka7 s ALA 62 Ca 0.29 -1.63 -0.03 0.00 0.00 0.00 0.00 51.96 50.59 2ka7 s ALA 62 Cb 0.07 -0.41 0.11 0.00 0.00 0.00 0.00 23.12 22.89 2ka7 s ALA 62 CO 0.06 0.42 0.28 0.00 0.00 0.00 0.00 175.76 176.52 2ka7 s ALA 63 N -1.76 -0.55 -0.17 0.00 0.00 0.18 -4.97 121.76 114.49 2ka7 s ALA 63 Ca 0.23 0.40 -0.29 0.00 0.00 0.00 0.00 51.96 52.30 2ka7 s ALA 63 Cb -0.08 -1.48 -0.04 0.00 0.00 0.00 0.00 23.12 21.52 2ka7 s ALA 63 CO 0.11 -1.28 1.85 -0.51 0.00 0.00 0.00 175.76 175.94 2ka7 s ASP 64 N 2.40 6.14 -0.57 0.00 1.11 -1.26 -1.11 116.67 123.37 2ka7 s ASP 64 Ca 0.09 1.90 -0.23 0.00 0.18 0.00 0.00 52.55 54.48 2ka7 s ASP 64 Cb -0.15 -2.53 0.05 0.00 1.07 0.00 0.00 42.92 41.36 2ka7 s ASP 64 CO -0.15 -1.41 0.92 -0.69 1.18 0.00 0.00 175.17 175.01 2ka7 s VAL 65 N 5.91 4.41 -0.53 -1.27 1.01 -1.26 -4.97 120.40 123.71 2ka7 s VAL 65 Ca 0.83 0.05 -0.22 0.00 0.00 0.00 0.00 61.98 62.64 2ka7 s VAL 65 Cb -0.31 -4.55 0.05 0.00 0.00 0.00 0.00 36.38 31.57 2ka7 s VAL 65 CO 0.34 -1.17 0.78 -0.31 0.00 0.00 0.00 175.10 174.73 2ka7 s TYR 66 N 3.87 2.92 0.28 5.22 2.02 -1.26 -3.04 117.35 127.36 2ka7 s TYR 66 Ca 0.27 -0.29 -0.26 0.00 -0.37 0.00 0.00 57.07 56.43 2ka7 s TYR 66 Cb -0.14 -3.81 -0.16 0.00 -0.40 0.00 0.00 41.96 37.45 2ka7 s TYR 66 CO 0.16 -1.20 0.46 0.00 -1.57 0.00 0.00 175.55 173.41 2ka7 n ALA 67 N 6.81 -2.50 0.07 3.71 0.00 0.59 -4.56 120.51 124.63 2ka7 n ALA 67 Ca -0.03 0.32 -0.16 0.00 0.00 0.00 0.00 53.44 53.58 2ka7 n ALA 67 Cb 0.46 -1.63 -0.14 0.00 0.00 0.00 0.00 19.45 18.14 2ka7 n ALA 67 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2ka7 h PRO 68 N 0.90 0.25 -4.04 0.00 0.13 -1.79 -2.65 132.00 124.80 2ka7 h PRO 68 Ca -0.33 -0.42 -0.22 0.00 -0.87 0.00 0.00 66.00 64.16 2ka7 h PRO 68 Cb 1.43 0.16 -0.24 0.00 0.13 0.00 0.00 31.00 32.47 2ka7 h PRO 68 CO 0.54 1.13 -0.72 -0.51 -0.23 0.00 0.00 178.00 178.21 2ka7 s LEU 69 N -7.01 2.14 0.31 1.56 2.01 -1.26 -4.54 118.68 111.90 2ka7 s LEU 69 Ca -0.07 -0.31 -0.29 0.00 0.01 0.00 0.00 54.13 53.47 2ka7 s LEU 69 Cb 0.07 -0.02 -0.10 0.00 0.01 0.00 0.00 46.19 46.15 2ka7 s LEU 69 CO 0.86 -0.15 1.42 -0.44 1.01 0.00 0.00 176.35 179.05 2ka7 s SER 70 N -0.87 6.60 0.00 2.29 0.01 -1.26 -3.85 113.70 116.62 2ka7 s SER 70 Ca -0.08 2.78 0.00 0.00 1.31 0.00 0.00 55.95 59.96 2ka7 s SER 70 Cb -0.06 -2.64 0.00 0.00 0.21 0.00 0.00 66.02 63.53 2ka7 s SER 70 CO -0.00 -0.70 0.00 0.61 0.41 0.00 0.00 173.24 173.56 2ka7 n GLY 71 N 1.33 -1.76 3.10 3.44 0.00 -1.15 -3.64 105.19 106.50 2ka7 n GLY 71 Ca 0.03 -1.11 -0.21 0.00 0.00 0.00 0.00 46.02 44.73 2ka7 n GLY 71 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ka7 s LYS 72 N -1.76 1.05 0.48 1.61 3.01 -1.19 -1.12 119.74 121.82 2ka7 s LYS 72 Ca 0.00 -0.50 -0.23 0.00 -1.01 0.00 0.00 55.97 54.23 2ka7 s LYS 72 Cb 0.00 -1.02 -0.07 0.00 -1.01 0.00 0.00 37.83 35.73 2ka7 s LYS 72 CO 0.00 0.28 1.26 0.42 0.51 0.00 0.00 175.35 177.82 2ka7 s ILE 73 N -0.37 2.64 0.00 2.17 -1.09 0.79 -0.37 121.20 124.96 2ka7 s ILE 73 Ca 0.05 0.50 0.00 0.00 -2.23 0.00 0.00 60.65 58.97 2ka7 s ILE 73 Cb -0.05 -3.26 0.00 0.00 -1.58 0.00 0.00 42.46 37.56 2ka7 s ILE 73 CO -0.00 0.01 0.00 1.33 -1.23 0.00 0.00 174.94 175.05 2ka7 n VAL 74 N -0.52 0.00 -3.67 2.92 0.24 -0.43 -2.90 118.33 113.96 2ka7 n VAL 74 Ca 0.07 0.00 -0.14 0.00 -2.04 0.00 0.00 64.34 62.23 2ka7 n VAL 74 Cb 0.46 1.34 -0.07 0.00 -1.47 0.00 0.00 33.84 34.09 2ka7 n VAL 74 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 2ka7 s GLU 75 N 0.00 0.84 0.01 7.34 2.12 -0.86 -4.90 118.70 123.25 2ka7 s GLU 75 Ca 0.00 -0.14 -0.02 0.00 0.36 0.00 0.00 54.97 55.17 2ka7 s GLU 75 Cb 0.00 0.38 -0.01 0.00 0.26 0.00 0.00 34.13 34.76 2ka7 s GLU 75 CO 0.00 -0.26 0.03 0.14 -0.54 0.00 0.00 175.26 174.63 2ka7 s VAL 76 N -1.65 0.10 -1.11 3.70 -7.23 -1.26 -0.42 120.40 112.52 2ka7 s VAL 76 Ca -0.10 -0.81 -0.07 0.00 -1.81 0.00 0.00 61.98 59.19 2ka7 s VAL 76 Cb -0.03 -0.31 0.29 0.00 0.56 0.00 0.00 36.38 36.89 2ka7 s VAL 76 CO 0.04 -0.44 1.29 -3.20 -0.31 0.00 0.00 175.10 172.48 2ka7 n ASN 77 N 1.61 5.88 0.17 4.85 5.15 -0.37 -4.86 115.26 127.68 2ka7 n ASN 77 Ca -0.23 -3.19 0.09 0.00 -0.60 0.00 0.00 54.58 50.65 2ka7 n ASN 77 Cb 0.55 -1.34 0.48 0.00 -0.53 0.00 0.00 39.78 38.94 2ka7 n ASN 77 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 2ka7 n GLU 78 N 2.24 0.12 -0.21 1.20 1.02 -1.26 -1.22 120.64 122.52 2ka7 n GLU 78 Ca 0.26 0.61 0.17 0.00 -0.02 0.00 0.00 57.16 58.18 2ka7 n GLU 78 Cb 0.37 -2.03 0.51 0.00 -0.02 0.00 0.00 31.44 30.26 2ka7 n GLU 78 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 2ka7 h LYS 79 N 0.00 0.40 0.00 3.49 1.57 -1.94 -2.23 116.57 117.86 2ka7 h LYS 79 Ca 0.00 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 2ka7 h LYS 79 Cb 0.30 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.52 2ka7 h LYS 79 CO 0.00 0.27 0.00 1.28 -0.57 0.00 0.00 179.45 180.43 2ka7 n LEU 80 N -4.49 0.00 0.25 2.94 7.99 -0.36 -0.47 117.00 122.86 2ka7 n LEU 80 Ca 0.17 0.45 0.08 0.00 -0.01 0.00 0.00 56.01 56.71 2ka7 n LEU 80 Cb 0.63 -0.45 0.64 0.00 -0.11 0.00 0.00 43.42 44.12 2ka7 n LEU 80 CO 0.32 -0.28 1.00 -0.78 -1.51 0.00 0.00 177.39 176.14 2ka7 h ASP 81 N 0.00 0.00 0.00 -1.43 3.58 -1.63 -2.93 116.42 114.02 2ka7 h ASP 81 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2ka7 h ASP 81 Cb 0.18 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.23 2ka7 h ASP 81 CO 0.00 0.09 -0.65 0.35 -2.88 0.00 0.00 179.24 176.15 2ka7 n THR 82 N -4.24 0.00 -3.18 2.25 -2.24 -0.36 -4.80 114.28 101.70 2ka7 n THR 82 Ca -0.03 0.00 -0.25 0.00 -2.27 0.00 0.00 64.05 61.50 2ka7 n THR 82 Cb 0.17 -0.41 -0.06 0.00 -2.10 0.00 0.00 70.33 67.93 2ka7 n THR 82 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2ka7 n GLU 83 N -1.36 2.28 0.01 -0.78 1.02 0.38 -4.91 120.64 117.28 2ka7 n GLU 83 Ca 0.00 -4.34 -0.12 0.00 -0.02 0.00 0.00 57.16 52.68 2ka7 n GLU 83 Cb 0.25 -2.02 -0.10 0.00 -0.02 0.00 0.00 31.44 29.56 2ka7 n GLU 83 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 2ka7 h PRO 84 N 3.56 -0.08 0.00 3.49 0.13 -1.73 -3.21 132.00 134.15 2ka7 h PRO 84 Ca 0.14 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 2ka7 h PRO 84 Cb 0.68 0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.83 2ka7 h PRO 84 CO 0.73 0.46 0.34 1.05 -0.23 0.00 0.00 178.00 180.35 2ka7 h GLU 85 N -0.70 0.00 -0.21 0.86 4.11 -1.83 -2.18 114.58 114.63 2ka7 h GLU 85 Ca -0.01 0.00 0.06 0.00 0.07 0.00 0.00 59.36 59.48 2ka7 h GLU 85 Cb 0.58 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.82 2ka7 h GLU 85 CO 0.01 0.00 0.25 1.25 0.07 0.00 0.00 179.01 180.59 2ka7 h LEU 86 N 0.00 0.00 -1.97 3.06 7.12 -1.89 0.20 115.31 121.83 2ka7 h LEU 86 Ca 0.00 0.00 0.25 0.00 0.13 0.00 0.00 57.88 58.26 2ka7 h LEU 86 Cb 0.69 0.00 -0.04 0.00 -0.53 0.00 0.00 40.66 40.78 2ka7 h LEU 86 CO 0.00 0.00 0.62 0.40 -0.13 0.00 0.00 178.44 179.33 2ka7 h ILE 87 N 0.00 0.57 0.06 4.05 2.04 -1.63 0.11 117.51 122.71 2ka7 h ILE 87 Ca 0.10 -0.01 -0.00 0.00 1.00 0.00 0.00 64.86 65.95 2ka7 h ILE 87 Cb 0.60 0.54 0.00 0.00 -0.74 0.00 0.00 36.82 37.22 2ka7 h ILE 87 CO -0.00 0.00 -0.03 0.78 0.00 0.00 0.00 178.15 178.91 2ka7 h ASN 88 N 0.03 -0.07 -0.25 1.72 2.35 -0.86 -3.23 115.58 115.27 2ka7 h ASN 88 Ca 0.42 -0.55 -0.16 0.00 -0.55 0.00 0.00 56.30 55.45 2ka7 h ASN 88 Cb 1.63 0.02 -0.01 0.00 0.05 0.00 0.00 38.32 40.01 2ka7 h ASN 88 CO -0.02 0.57 -0.44 0.50 -1.65 0.00 0.00 177.43 176.39 2ka7 h LYS 89 N -0.75 0.81 -0.39 0.81 3.11 -1.07 -3.39 116.57 115.70 2ka7 h LYS 89 Ca -0.01 -0.45 -0.29 0.00 -2.81 0.00 0.00 60.65 57.09 2ka7 h LYS 89 Cb 0.62 0.03 -0.19 0.00 -1.00 0.00 0.00 32.23 31.68 2ka7 h LYS 89 CO 0.01 1.09 -0.61 -3.47 -2.81 0.00 0.00 179.45 173.67 2ka7 n ASP 90 N -4.03 -2.17 0.33 4.20 2.03 0.19 -5.03 116.55 112.07 2ka7 n ASP 90 Ca -0.03 -3.28 0.21 0.00 0.52 0.00 0.00 54.79 52.21 2ka7 n ASP 90 Cb 0.57 1.38 1.13 0.00 -0.72 0.00 0.00 41.12 43.47 2ka7 n ASP 90 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 2ka7 h PRO 91 N 3.76 0.00 0.00 -0.67 0.13 -1.66 0.59 132.00 134.15 2ka7 h PRO 91 Ca -0.10 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.03 2ka7 h PRO 91 Cb 1.02 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.15 2ka7 h PRO 91 CO 0.32 0.00 -0.08 0.39 -0.23 0.00 0.00 178.00 178.40 2ka7 n GLU 92 N -3.22 1.08 0.00 0.86 1.02 -1.26 -4.32 120.64 114.81 2ka7 n GLU 92 Ca -0.03 -2.34 0.00 0.00 -0.02 0.00 0.00 57.16 54.77 2ka7 n GLU 92 Cb 0.09 -1.34 0.00 0.00 -0.02 0.00 0.00 31.44 30.17 2ka7 n GLU 92 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2ka7 n GLY 93 N -1.21 0.78 0.08 0.62 0.00 -0.45 -4.98 105.19 100.02 2ka7 n GLY 93 Ca 0.14 -0.02 -0.11 0.00 0.00 0.00 0.00 46.02 46.03 2ka7 n GLY 93 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2ka7 h GLU 94 N 0.00 0.12 -1.78 1.61 4.39 -1.86 -3.37 114.58 113.69 2ka7 h GLU 94 Ca 0.00 -0.20 0.00 0.00 0.34 0.00 0.00 59.36 59.50 2ka7 h GLU 94 Cb 0.00 0.07 0.00 0.00 -0.10 0.00 0.00 28.75 28.72 2ka7 h GLU 94 CO 0.00 1.09 0.00 0.41 -1.16 0.00 0.00 179.01 179.35 2ka7 n GLY 95 N 1.42 2.32 3.70 -3.84 0.00 0.07 -4.89 105.19 103.98 2ka7 n GLY 95 Ca -0.04 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.69 2ka7 n GLY 95 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 2ka7 s TRP 96 N 0.06 2.23 -0.05 1.61 1.48 -1.26 -4.56 118.94 118.45 2ka7 s TRP 96 Ca 0.00 1.28 -0.09 0.00 -1.06 0.00 0.00 56.10 56.23 2ka7 s TRP 96 Cb 0.00 -3.17 -0.03 0.00 -1.16 0.00 0.00 33.47 29.12 2ka7 s TRP 96 CO 0.00 -2.49 -0.17 1.28 -4.06 0.00 0.00 176.95 171.51 2ka7 n LEU 97 N -3.95 1.36 -4.05 -4.66 4.77 -0.60 -4.76 117.00 105.10 2ka7 n LEU 97 Ca 0.07 0.21 -0.11 0.00 -0.03 0.00 0.00 56.01 56.15 2ka7 n LEU 97 Cb 0.55 -0.52 -0.06 0.00 -2.33 0.00 0.00 43.42 41.06 2ka7 n LEU 97 CO 0.55 -0.49 0.10 0.72 -1.33 0.00 0.00 177.39 176.94 2ka7 s PHE 98 N -2.30 0.68 0.06 -1.77 -0.71 -1.13 -1.23 117.98 111.58 2ka7 s PHE 98 Ca -0.14 -0.99 0.03 0.00 -1.04 0.00 0.00 56.93 54.79 2ka7 s PHE 98 Cb 0.02 -0.00 -0.03 0.00 -1.21 0.00 0.00 43.02 41.80 2ka7 s PHE 98 CO 0.21 -0.97 -0.09 0.15 -1.34 0.00 0.00 175.22 173.17 2ka7 s LYS 99 N -3.78 0.65 -0.06 1.99 1.02 0.44 -0.94 119.74 119.06 2ka7 s LYS 99 Ca 0.27 -0.93 -0.12 0.00 0.02 0.00 0.00 55.97 55.22 2ka7 s LYS 99 Cb 0.01 -0.37 0.02 0.00 -0.52 0.00 0.00 37.83 36.97 2ka7 s LYS 99 CO 0.12 0.06 0.29 0.00 -0.92 0.00 0.00 175.35 174.90 2ka7 s MET 100 N -2.12 0.49 0.17 1.68 0.23 -0.49 -1.32 119.30 117.93 2ka7 s MET 100 Ca -0.03 0.10 -0.32 0.00 -1.03 0.00 0.00 55.69 54.41 2ka7 s MET 100 Cb -0.07 0.22 -0.12 0.00 -1.53 0.00 0.00 34.83 33.34 2ka7 s MET 100 CO -0.00 -0.10 1.75 -1.91 -2.03 0.00 0.00 175.02 172.72 2ka7 n GLU 101 N 2.14 2.70 -2.82 3.16 2.13 0.50 -1.05 120.64 127.40 2ka7 n GLU 101 Ca -0.17 0.98 -0.43 0.00 0.66 0.00 0.00 57.16 58.20 2ka7 n GLU 101 Cb 0.57 -2.83 -0.03 0.00 0.27 0.00 0.00 31.44 29.42 2ka7 n GLU 101 CO 0.00 0.00 0.00 0.96 -0.41 0.00 0.00 177.13 177.68 2ka7 s ILE 102 N 1.70 4.35 -0.92 6.31 -4.36 -0.70 -3.16 121.20 124.42 2ka7 s ILE 102 Ca 0.78 -0.71 0.28 0.00 -0.26 0.00 0.00 60.65 60.74 2ka7 s ILE 102 Cb -0.52 -4.78 0.21 0.00 1.25 0.00 0.00 42.46 38.62 2ka7 s ILE 102 CO 0.35 -1.56 1.80 -1.20 0.24 0.00 0.00 174.94 174.57 2ka7 n SER 103 N 7.63 0.28 -3.65 4.36 7.64 -1.24 -4.22 113.62 124.42 2ka7 n SER 103 Ca 0.09 0.41 -0.29 0.00 1.01 0.00 0.00 58.87 60.08 2ka7 n SER 103 Cb 0.47 -0.44 -0.14 0.00 -1.01 0.00 0.00 64.21 63.09 2ka7 n SER 103 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 2ka7 s ASP 104 N -3.41 3.69 0.00 6.43 1.01 -1.25 -4.96 116.67 118.18 2ka7 s ASP 104 Ca 0.12 -1.84 0.30 0.00 0.71 0.00 0.00 52.55 51.84 2ka7 s ASP 104 Cb 0.17 -0.71 1.44 0.00 1.01 0.00 0.00 42.92 44.83 2ka7 s ASP 104 CO 0.58 -0.38 1.99 -1.84 0.21 0.00 0.00 175.17 175.73 2ka7 n GLU 105 N 4.56 0.56 0.12 8.23 0.28 -1.26 -3.86 120.64 129.28 2ka7 n GLU 105 Ca 0.01 -0.08 -0.12 0.00 -0.16 0.00 0.00 57.16 56.81 2ka7 n GLU 105 Cb 0.40 -1.50 -0.07 0.00 1.43 0.00 0.00 31.44 31.70 2ka7 n GLU 105 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 177.13 177.75 2ka7 h GLY 106 N 4.99 -0.38 2.00 -1.84 0.00 -1.96 -3.32 103.07 102.56 2ka7 h GLY 106 Ca 0.00 0.14 0.00 0.00 0.00 0.00 0.00 47.33 47.47 2ka7 h GLY 106 CO 0.00 -0.14 0.00 0.83 0.00 0.00 0.00 176.54 177.23 2ka7 h GLU 107 N -0.85 0.00 -1.17 4.80 3.07 -2.00 -2.16 114.58 116.27 2ka7 h GLU 107 Ca -0.04 0.00 0.37 0.00 -0.50 0.00 0.00 59.36 59.19 2ka7 h GLU 107 Cb 0.51 0.00 -0.13 0.00 -0.84 0.00 0.00 28.75 28.30 2ka7 h GLU 107 CO 0.06 0.00 0.73 -0.07 -1.40 0.00 0.00 179.01 178.33 2ka7 h LEU 108 N 0.00 0.35 -0.23 1.33 3.38 -1.75 0.13 115.31 118.52 2ka7 h LEU 108 Ca 0.00 0.14 0.00 0.00 0.09 0.00 0.00 57.88 58.11 2ka7 h LEU 108 Cb 0.01 0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.87 2ka7 h LEU 108 CO 0.00 -0.13 0.00 -0.62 0.09 0.00 0.00 178.44 177.78 2ka7 n GLU 109 N -4.79 0.16 0.04 1.13 -0.58 -0.81 -2.13 120.64 113.66 2ka7 n GLU 109 Ca 0.33 0.25 -0.09 0.00 -0.42 0.00 0.00 57.16 57.23 2ka7 n GLU 109 Cb 1.20 -1.73 0.05 0.00 -0.57 0.00 0.00 31.44 30.39 2ka7 n GLU 109 CO 0.00 0.00 0.00 -0.44 -0.48 0.00 0.00 177.13 176.21 2ka7 h ASP 110 N 0.00 0.51 -4.07 1.62 3.32 -0.96 -3.46 116.42 113.38 2ka7 h ASP 110 Ca 0.00 -0.30 -0.47 0.00 0.02 0.00 0.00 57.03 56.28 2ka7 h ASP 110 Cb 0.50 -0.15 0.14 0.00 0.22 0.00 0.00 39.33 40.05 2ka7 h ASP 110 CO 0.00 1.02 0.25 -0.76 -1.72 0.00 0.00 179.24 178.03 2ka7 s LEU 111 N -8.11 2.00 0.06 1.55 2.01 -0.90 -4.99 118.68 110.30 2ka7 s LEU 111 Ca -0.06 1.22 -0.30 0.00 0.01 0.00 0.00 54.13 55.00 2ka7 s LEU 111 Cb 0.11 -3.56 -0.05 0.00 0.01 0.00 0.00 46.19 42.71 2ka7 s LEU 111 CO 0.83 -2.71 1.05 -0.76 1.01 0.00 0.00 176.35 175.78 2ka7 s LEU 112 N -6.20 4.41 1.18 1.79 1.43 -0.40 -4.84 118.68 116.05 2ka7 s LEU 112 Ca 0.64 1.84 -0.17 0.00 -1.03 0.00 0.00 54.13 55.41 2ka7 s LEU 112 Cb -0.17 -3.58 0.21 0.00 0.03 0.00 0.00 46.19 42.69 2ka7 s LEU 112 CO 0.56 -0.28 0.48 0.47 0.23 0.00 0.00 176.35 177.81 2ka7 n ASP 113 N 3.51 -2.45 -0.13 2.29 8.00 -1.26 -0.94 116.55 125.57 2ka7 n ASP 113 Ca 0.06 -0.26 -0.12 0.00 0.71 0.00 0.00 54.79 55.18 2ka7 n ASP 113 Cb 0.49 -1.05 0.01 0.00 -0.02 0.00 0.00 41.12 40.55 2ka7 n ASP 113 CO 0.00 0.00 0.00 -0.08 -0.39 0.00 0.00 177.20 176.73 2ka7 h GLU 114 N -2.55 0.93 -0.31 -1.24 4.81 -1.95 0.26 114.58 114.51 2ka7 h GLU 114 Ca -0.54 -0.44 -0.03 0.00 -0.13 0.00 0.00 59.36 58.22 2ka7 h GLU 114 Cb 1.30 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.66 2ka7 h GLU 114 CO 0.39 1.10 0.08 0.37 -0.73 0.00 0.00 179.01 180.22 2ka7 h GLN 115 N 0.78 0.50 -0.62 1.92 5.75 -1.97 -2.62 115.11 118.85 2ka7 h GLN 115 Ca 0.08 -0.12 -0.03 0.00 -0.15 0.00 0.00 58.65 58.43 2ka7 h GLN 115 Cb 0.88 -0.07 -0.03 0.00 1.07 0.00 0.00 27.48 29.34 2ka7 h GLN 115 CO 0.08 0.57 0.25 0.00 -2.65 0.00 0.00 178.83 177.08 2ka7 h ALA 116 N 0.91 1.27 -0.47 3.38 0.00 -1.82 -2.32 119.26 120.21 2ka7 h ALA 116 Ca 0.10 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 2ka7 h ALA 116 Cb 0.29 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 2ka7 h ALA 116 CO 0.00 0.54 0.27 -0.92 0.00 0.00 0.00 179.25 179.15 2ka7 h TYR 117 N 0.89 0.62 -0.40 0.00 3.20 -0.44 -0.44 116.97 120.41 2ka7 h TYR 117 Ca 0.21 -0.01 0.06 0.00 3.14 0.00 0.00 58.73 62.14 2ka7 h TYR 117 Cb 0.17 -0.20 -0.06 0.00 1.54 0.00 0.00 36.73 38.19 2ka7 h TYR 117 CO 0.01 0.45 0.06 0.37 -1.64 0.00 0.00 178.16 177.41 2ka7 h GLN 118 N 0.62 0.18 -0.14 1.82 4.15 -1.06 -1.23 115.11 119.45 2ka7 h GLN 118 Ca 0.17 -0.01 -0.05 0.00 0.77 0.00 0.00 58.65 59.52 2ka7 h GLN 118 Cb 0.01 -0.04 -0.01 0.00 0.21 0.00 0.00 27.48 27.65 2ka7 h GLN 118 CO -0.03 0.12 -0.15 1.49 -1.93 0.00 0.00 178.83 178.33 2ka7 h GLU 119 N 0.19 0.22 -0.10 1.69 4.22 -0.92 -0.83 114.58 119.05 2ka7 h GLU 119 Ca 0.19 -0.05 -0.13 0.00 0.08 0.00 0.00 59.36 59.45 2ka7 h GLU 119 Cb 0.24 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 2ka7 h GLU 119 CO -0.27 0.38 -0.52 0.35 -2.18 0.00 0.00 179.01 176.77 2ka7 h PHE 120 N 0.21 0.33 -0.61 0.92 3.57 -0.43 -2.74 116.94 118.20 2ka7 h PHE 120 Ca 0.04 -0.11 -0.10 0.00 3.53 0.00 0.00 57.97 61.34 2ka7 h PHE 120 Cb 0.39 -0.06 -0.02 0.00 2.79 0.00 0.00 35.95 39.05 2ka7 h PHE 120 CO 0.01 0.73 0.00 0.00 -2.23 0.00 0.00 178.31 176.82 2ka7 h ALA 122 N 1.01 1.47 -0.35 0.00 0.00 -0.89 -1.50 119.26 119.00 2ka7 h ALA 122 Ca 0.17 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.03 2ka7 h ALA 122 Cb 0.56 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.34 2ka7 h ALA 122 CO 0.03 0.08 0.00 1.04 0.00 0.00 0.00 179.25 180.40 2ka7 n GLN 123 N -3.84 2.41 0.00 0.00 1.13 -1.09 -5.10 117.38 110.89 2ka7 n GLN 123 Ca -0.02 -2.20 0.05 0.00 -1.94 0.00 0.00 57.00 52.88 2ka7 n GLN 123 Cb 0.15 -1.48 0.30 0.00 0.11 0.00 0.00 30.24 29.32 2ka7 n GLN 123 CO 0.00 0.00 0.00 -1.91 -1.44 0.00 0.00 177.06 173.71