#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 2.08 -4.29 0.03 4.01 -1.25 -4.93 118.16 113.81 2ka7 n LYS 2 Ca 0.00 0.75 -0.18 0.00 -0.51 0.00 0.00 58.31 58.37 2ka7 n LYS 2 Cb 0.00 -2.62 -0.13 0.00 -0.51 0.00 0.00 35.03 31.76 2ka7 n LYS 2 CO 0.00 0.00 0.00 1.41 -1.11 0.00 0.00 177.40 177.70 2ka7 s MET 3 N 4.22 0.80 -0.29 1.97 1.75 -0.22 -4.99 119.30 122.55 2ka7 s MET 3 Ca 0.94 -0.68 -0.04 0.00 -1.25 0.00 0.00 55.69 54.67 2ka7 s MET 3 Cb -0.71 -0.77 0.10 0.00 2.84 0.00 0.00 34.83 36.29 2ka7 s MET 3 CO 0.52 0.19 0.15 0.21 -0.65 0.00 0.00 175.02 175.43 2ka7 s LYS 4 N -1.06 0.20 0.58 4.11 2.20 -1.26 -0.26 119.74 124.25 2ka7 s LYS 4 Ca -0.00 -0.48 0.09 0.00 -0.36 0.00 0.00 55.97 55.22 2ka7 s LYS 4 Cb -0.07 -1.12 0.08 0.00 -1.51 0.00 0.00 37.83 35.21 2ka7 s LYS 4 CO 0.01 -1.01 0.74 0.15 -0.36 0.00 0.00 175.35 174.88 2ka7 s LYS 5 N 2.13 2.26 0.28 4.03 1.02 -1.14 -4.54 119.74 123.78 2ka7 s LYS 5 Ca 0.09 -1.74 -0.00 0.00 0.02 0.00 0.00 55.97 54.33 2ka7 s LYS 5 Cb -0.16 -2.54 -0.02 0.00 -0.52 0.00 0.00 37.83 34.59 2ka7 s LYS 5 CO -0.36 -0.87 0.31 0.71 -0.92 0.00 0.00 175.35 174.22 2ka7 s TYR 6 N -2.71 1.22 0.00 3.18 1.51 -0.08 -0.62 117.35 119.85 2ka7 s TYR 6 Ca 0.57 -1.36 0.00 0.00 -1.01 0.00 0.00 57.07 55.27 2ka7 s TYR 6 Cb -0.05 -0.39 0.00 0.00 -0.11 0.00 0.00 41.96 41.41 2ka7 s TYR 6 CO 0.36 -0.88 0.00 0.25 -1.11 0.00 0.00 175.55 174.17 2ka7 n THR 7 N -0.47 0.00 0.07 -0.71 -2.24 -1.21 -1.18 114.28 108.55 2ka7 n THR 7 Ca 0.03 0.00 -0.08 0.00 -2.27 0.00 0.00 64.05 61.73 2ka7 n THR 7 Cb 0.63 0.00 -0.10 0.00 -2.10 0.00 0.00 70.33 68.76 2ka7 n THR 7 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 2ka7 h LYS 8 N 0.00 0.06 -1.01 -0.78 1.57 -1.98 -3.38 116.57 111.04 2ka7 h LYS 8 Ca 0.00 -0.09 -0.21 0.00 -1.87 0.00 0.00 60.65 58.48 2ka7 h LYS 8 Cb 0.00 0.03 -0.13 0.00 0.08 0.00 0.00 32.23 32.22 2ka7 h LYS 8 CO 0.00 1.02 0.27 0.25 -0.57 0.00 0.00 179.45 180.42 2ka7 n THR 9 N -3.42 1.91 -2.11 -0.16 -2.24 -1.26 -4.83 114.28 102.17 2ka7 n THR 9 Ca -0.02 -0.80 -0.06 0.00 -2.27 0.00 0.00 64.05 60.91 2ka7 n THR 9 Cb 0.93 -0.80 -0.01 0.00 -2.10 0.00 0.00 70.33 68.36 2ka7 n THR 9 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2ka7 n HIS 10 N -0.16 -1.46 -2.11 4.78 1.44 -1.26 -4.82 115.22 111.64 2ka7 n HIS 10 Ca 0.24 0.00 -0.28 0.00 -2.01 0.00 0.00 57.72 55.67 2ka7 n HIS 10 Cb 0.97 -1.76 0.04 0.00 0.12 0.00 0.00 29.99 29.36 2ka7 n HIS 10 CO 0.00 0.00 0.00 -1.21 -2.81 0.00 0.00 176.34 172.32 2ka7 s GLU 11 N -4.31 2.78 0.36 -1.40 2.02 -1.26 -0.04 118.70 116.85 2ka7 s GLU 11 Ca 0.00 0.21 0.05 0.00 0.02 0.00 0.00 54.97 55.25 2ka7 s GLU 11 Cb 0.00 -2.12 -0.07 0.00 0.10 0.00 0.00 34.13 32.04 2ka7 s GLU 11 CO 0.00 -0.96 0.04 1.67 0.02 0.00 0.00 175.26 176.03 2ka7 s TRP 12 N -3.22 2.21 0.01 1.61 1.48 -0.15 -3.31 118.94 117.56 2ka7 s TRP 12 Ca 0.57 -0.83 0.01 0.00 -1.06 0.00 0.00 56.10 54.79 2ka7 s TRP 12 Cb -0.11 -1.51 -0.01 0.00 -1.16 0.00 0.00 33.47 30.69 2ka7 s TRP 12 CO 0.49 0.20 -0.04 0.08 -4.06 0.00 0.00 176.95 173.62 2ka7 s VAL 13 N -3.03 0.33 -0.37 -0.66 1.01 0.21 -3.46 120.40 114.42 2ka7 s VAL 13 Ca 0.36 -0.37 0.01 0.00 0.00 0.00 0.00 61.98 61.98 2ka7 s VAL 13 Cb 0.09 -0.32 0.14 0.00 0.00 0.00 0.00 36.38 36.30 2ka7 s VAL 13 CO 0.17 -0.04 0.24 -0.44 0.00 0.00 0.00 175.10 175.03 2ka7 s SER 14 N -0.44 2.82 -0.90 3.32 0.01 0.02 -2.88 113.70 115.65 2ka7 s SER 14 Ca -0.02 -2.39 -0.16 0.00 1.31 0.00 0.00 55.95 54.69 2ka7 s SER 14 Cb -0.03 -0.48 0.17 0.00 0.21 0.00 0.00 66.02 65.88 2ka7 s SER 14 CO -0.00 -0.28 1.00 -0.63 0.41 0.00 0.00 173.24 173.73 2ka7 s ILE 15 N 0.81 5.12 -0.00 1.44 1.09 0.64 -1.34 121.20 128.96 2ka7 s ILE 15 Ca 0.20 -2.01 -0.00 0.00 -1.10 0.00 0.00 60.65 57.74 2ka7 s ILE 15 Cb -0.19 -4.66 -0.00 0.00 -1.06 0.00 0.00 42.46 36.55 2ka7 s ILE 15 CO -0.03 -1.32 0.54 -0.08 -0.10 0.00 0.00 174.94 173.96 2ka7 h GLU 16 N 8.32 -0.01 0.00 2.79 4.81 -1.77 -0.57 114.58 128.15 2ka7 h GLU 16 Ca 0.14 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.37 2ka7 h GLU 16 Cb 1.02 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.40 2ka7 h GLU 16 CO 0.97 -0.01 0.00 -0.25 -0.73 0.00 0.00 179.01 178.99 2ka7 n ASP 17 N -2.04 0.00 -0.01 1.04 9.92 -1.26 -3.80 116.55 120.40 2ka7 n ASP 17 Ca -0.00 0.00 0.01 0.00 -0.53 0.00 0.00 54.79 54.27 2ka7 n ASP 17 Cb 0.00 0.00 0.01 0.00 -0.64 0.00 0.00 41.12 40.50 2ka7 n ASP 17 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 2ka7 n LYS 18 N 0.00 2.51 -4.03 -1.24 5.02 -1.26 -4.93 118.16 114.23 2ka7 n LYS 18 Ca 0.00 -1.49 -0.34 0.00 -2.02 0.00 0.00 58.31 54.46 2ka7 n LYS 18 Cb 0.00 -0.99 -0.15 0.00 -0.02 0.00 0.00 35.03 33.87 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 -1.06 2.60 -0.20 -0.18 1.01 -1.26 -2.22 120.40 119.09 2ka7 s VAL 19 Ca 0.03 -0.78 -0.18 0.00 0.00 0.00 0.00 61.98 61.05 2ka7 s VAL 19 Cb 0.03 -2.15 -0.03 0.00 0.00 0.00 0.00 36.38 34.23 2ka7 s VAL 19 CO 0.00 0.48 0.49 0.00 0.00 0.00 0.00 175.10 176.06 2ka7 s ALA 20 N 1.36 3.54 0.00 5.51 0.00 -0.44 -3.19 121.76 128.56 2ka7 s ALA 20 Ca 0.05 -0.43 -0.30 0.00 0.00 0.00 0.00 51.96 51.28 2ka7 s ALA 20 Cb -0.14 -2.76 -0.04 0.00 0.00 0.00 0.00 23.12 20.18 2ka7 s ALA 20 CO -0.09 -0.40 1.12 0.99 0.00 0.00 0.00 175.76 177.38 2ka7 s THR 21 N 1.54 4.39 -0.15 0.00 2.01 -0.45 -1.77 115.64 121.20 2ka7 s THR 21 Ca 0.23 1.71 -0.07 0.00 0.31 0.00 0.00 61.69 63.86 2ka7 s THR 21 Cb -0.15 -4.10 -0.04 0.00 0.01 0.00 0.00 72.50 68.22 2ka7 s THR 21 CO 0.09 0.09 0.10 -0.69 -0.69 0.00 0.00 174.62 173.53 2ka7 s VAL 22 N 1.41 5.19 0.26 3.82 1.01 0.19 -0.80 120.40 131.48 2ka7 s VAL 22 Ca 0.55 0.10 -0.07 0.00 0.00 0.00 0.00 61.98 62.57 2ka7 s VAL 22 Cb -0.25 -3.30 -0.01 0.00 0.00 0.00 0.00 36.38 32.81 2ka7 s VAL 22 CO 0.26 0.53 0.37 -0.83 0.00 0.00 0.00 175.10 175.43 2ka7 s GLY 23 N -0.29 1.06 0.25 4.51 0.00 -1.22 -0.58 107.32 111.04 2ka7 s GLY 23 Ca 0.10 -1.29 -0.13 0.00 0.00 0.00 0.00 44.72 43.40 2ka7 s GLY 23 CO 0.01 -0.96 0.63 -0.26 0.00 0.00 0.00 173.10 172.52 2ka7 s ILE 24 N -3.84 4.81 0.86 0.90 -4.36 -1.26 -0.98 121.20 117.32 2ka7 s ILE 24 Ca 0.30 0.75 -0.12 0.00 -0.26 0.00 0.00 60.65 61.31 2ka7 s ILE 24 Cb 0.02 -3.65 0.11 0.00 1.25 0.00 0.00 42.46 40.19 2ka7 s ILE 24 CO 0.13 -0.05 1.15 0.42 0.24 0.00 0.00 174.94 176.83 2ka7 s THR 25 N -1.81 2.09 0.30 8.37 -4.23 0.95 -4.41 115.64 116.90 2ka7 s THR 25 Ca 0.48 0.03 0.04 0.00 -1.18 0.00 0.00 61.69 61.06 2ka7 s THR 25 Cb -0.12 -2.88 0.29 0.00 1.34 0.00 0.00 72.50 71.13 2ka7 s THR 25 CO 0.20 -0.04 1.81 -1.13 -0.54 0.00 0.00 174.62 174.92 2ka7 h ASN 26 N -1.29 0.85 0.00 3.99 -0.73 -1.89 -1.65 115.58 114.87 2ka7 h ASN 26 Ca -0.48 0.07 0.00 0.00 1.87 0.00 0.00 56.30 57.76 2ka7 h ASN 26 Cb 1.33 -0.09 0.00 0.00 0.27 0.00 0.00 38.32 39.82 2ka7 h ASN 26 CO 0.63 0.39 0.03 -0.74 -0.37 0.00 0.00 177.43 177.37 2ka7 h HIS 27 N 0.88 0.00 0.00 0.67 2.76 -1.93 -0.82 115.15 116.71 2ka7 h HIS 27 Ca 0.53 0.00 -0.09 0.00 -2.20 0.00 0.00 60.37 58.61 2ka7 h HIS 27 Cb 0.69 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.64 2ka7 h HIS 27 CO -0.00 0.00 -0.52 0.00 -1.30 0.00 0.00 177.93 176.11 2ka7 h ALA 28 N 1.93 0.11 0.00 5.26 0.00 -1.56 -3.33 119.26 121.67 2ka7 h ALA 28 Ca 0.00 -0.75 -0.00 0.00 0.00 0.00 0.00 54.91 54.15 2ka7 h ALA 28 Cb 0.06 0.32 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 2ka7 h ALA 28 CO 0.00 0.30 -0.01 -0.56 0.00 0.00 0.00 179.25 178.98 2ka7 h GLN 29 N -1.00 0.00 0.00 0.00 -0.00 -1.46 -1.77 115.11 110.88 2ka7 h GLN 29 Ca -0.14 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.51 2ka7 h GLN 29 Cb 1.04 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.52 2ka7 h GLN 29 CO -0.08 0.01 0.00 0.93 -0.00 0.00 0.00 178.83 179.68 2ka7 h GLU 30 N 0.00 0.00 0.00 0.06 4.39 -1.27 -0.38 114.58 117.38 2ka7 h GLU 30 Ca -0.00 0.00 -0.16 0.00 0.34 0.00 0.00 59.36 59.54 2ka7 h GLU 30 Cb 0.05 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.68 2ka7 h GLU 30 CO 0.00 0.00 -1.45 1.04 -1.16 0.00 0.00 179.01 177.44 2ka7 n GLN 31 N -2.47 0.23 -0.08 2.33 6.02 -0.69 -4.76 117.38 117.97 2ka7 n GLN 31 Ca -0.01 0.10 -0.03 0.00 -0.01 0.00 0.00 57.00 57.04 2ka7 n GLN 31 Cb 0.07 -0.88 0.19 0.00 1.02 0.00 0.00 30.24 30.64 2ka7 n GLN 31 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 2ka7 h LEU 32 N -0.39 0.69 0.00 1.08 3.38 -1.49 -3.47 115.31 115.10 2ka7 h LEU 32 Ca -0.24 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.57 2ka7 h LEU 32 Cb 1.13 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.70 2ka7 h LEU 32 CO -0.15 0.76 0.00 0.61 0.09 0.00 0.00 178.44 179.76 2ka7 n GLY 33 N -0.68 3.16 3.62 0.83 0.00 -0.15 -4.61 105.19 107.35 2ka7 n GLY 33 Ca 0.02 -0.16 -0.43 0.00 0.00 0.00 0.00 46.02 45.45 2ka7 n GLY 33 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2ka7 s ASP 34 N -4.00 5.94 0.25 1.61 1.11 -1.26 -4.87 116.67 115.44 2ka7 s ASP 34 Ca 0.00 1.88 0.00 0.00 0.18 0.00 0.00 52.55 54.61 2ka7 s ASP 34 Cb 0.00 -2.52 0.00 0.00 1.07 0.00 0.00 42.92 41.47 2ka7 s ASP 34 CO 0.00 -1.58 0.00 0.52 1.18 0.00 0.00 175.17 175.29 2ka7 n VAL 35 N 6.95 0.00 0.00 -1.27 0.31 -1.26 -3.13 118.33 119.93 2ka7 n VAL 35 Ca 0.24 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.57 2ka7 n VAL 35 Cb 0.45 -1.62 0.00 0.00 -0.91 0.00 0.00 33.84 31.76 2ka7 n VAL 35 CO 0.00 0.00 0.00 0.55 -1.32 0.00 0.00 176.83 176.06 2ka7 n VAL 36 N -0.65 0.00 -3.64 2.52 3.14 -1.26 -4.43 118.33 114.01 2ka7 n VAL 36 Ca 0.00 0.00 -0.14 0.00 -2.96 0.00 0.00 64.34 61.24 2ka7 n VAL 36 Cb 0.00 0.00 -0.07 0.00 -1.06 0.00 0.00 33.84 32.71 2ka7 n VAL 36 CO 0.00 0.00 0.00 -0.47 -6.46 0.00 0.00 176.83 169.90 2ka7 s TYR 37 N -0.91 -0.35 -0.03 1.45 5.04 -0.95 -4.82 117.35 116.78 2ka7 s TYR 37 Ca 0.00 0.46 -0.00 0.00 -2.44 0.00 0.00 57.07 55.09 2ka7 s TYR 37 Cb 0.00 0.25 0.03 0.00 0.35 0.00 0.00 41.96 42.59 2ka7 s TYR 37 CO 0.00 -0.55 0.02 0.08 -1.34 0.00 0.00 175.55 173.77 2ka7 s VAL 38 N -1.91 0.02 0.18 3.14 1.01 -1.26 -2.71 120.40 118.87 2ka7 s VAL 38 Ca -0.09 0.19 -0.30 0.00 0.00 0.00 0.00 61.98 61.79 2ka7 s VAL 38 Cb -0.02 -0.16 -0.08 0.00 0.00 0.00 0.00 36.38 36.12 2ka7 s VAL 38 CO 0.02 0.12 1.20 -0.62 0.00 0.00 0.00 175.10 175.82 2ka7 s ASP 39 N 1.17 7.07 -0.02 3.32 2.15 0.84 -4.69 116.67 126.52 2ka7 s ASP 39 Ca -0.08 2.23 0.04 0.00 0.43 0.00 0.00 52.55 55.18 2ka7 s ASP 39 Cb -0.13 -2.61 -0.01 0.00 -0.30 0.00 0.00 42.92 39.88 2ka7 s ASP 39 CO -0.03 -0.39 -0.14 -0.76 -0.17 0.00 0.00 175.17 173.69 2ka7 s LEU 40 N -0.16 1.98 1.13 -1.34 1.43 -1.26 -4.07 118.68 116.39 2ka7 s LEU 40 Ca 0.53 -0.27 -0.19 0.00 -1.03 0.00 0.00 54.13 53.18 2ka7 s LEU 40 Cb -0.33 -0.75 0.27 0.00 0.03 0.00 0.00 46.19 45.41 2ka7 s LEU 40 CO 0.36 0.16 1.21 -2.16 0.23 0.00 0.00 176.35 176.15 2ka7 s PRO 41 N -0.21 -0.68 0.62 1.29 0.04 -1.21 -5.00 135.00 129.86 2ka7 s PRO 41 Ca 0.03 -0.30 -0.06 0.00 0.04 0.00 0.00 61.00 60.71 2ka7 s PRO 41 Cb -0.07 -1.68 0.03 0.00 0.04 0.00 0.00 34.50 32.82 2ka7 s PRO 41 CO -0.00 -3.31 0.93 -2.00 0.04 0.00 0.00 177.00 172.66 2ka7 s GLU 42 N -5.68 2.66 -0.25 4.56 -6.30 -1.26 -4.96 118.70 107.48 2ka7 s GLU 42 Ca 0.73 -0.14 0.12 0.00 -2.50 0.00 0.00 54.97 53.18 2ka7 s GLU 42 Cb -0.06 -2.25 0.75 0.00 0.00 0.00 0.00 34.13 32.57 2ka7 s GLU 42 CO 0.55 -0.87 1.70 1.55 0.02 0.00 0.00 175.26 178.20 2ka7 n VAL 43 N -2.67 2.66 -1.71 3.70 3.14 -1.26 -3.19 118.33 119.00 2ka7 n VAL 43 Ca 0.06 -1.38 0.00 0.00 -2.96 0.00 0.00 64.34 60.06 2ka7 n VAL 43 Cb 0.59 -0.32 0.00 0.00 -1.06 0.00 0.00 33.84 33.04 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 0.36 -0.19 3.72 7.55 0.00 -1.17 -3.77 105.19 111.70 2ka7 n GLY 44 Ca 0.30 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.91 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 4.55 0.22 1.61 3.52 -1.19 -4.84 118.95 122.83 2ka7 s ARG 45 Ca 0.00 1.62 -0.18 0.00 -0.13 0.00 0.00 55.73 57.03 2ka7 s ARG 45 Cb 0.00 -3.36 -0.08 0.00 -1.56 0.00 0.00 34.95 29.95 2ka7 s ARG 45 CO 0.00 -0.03 0.70 -1.21 -0.81 0.00 0.00 175.30 173.95 2ka7 s GLU 46 N 0.46 4.18 0.21 5.12 2.02 -1.26 -0.54 118.70 128.89 2ka7 s GLU 46 Ca 0.52 0.79 0.04 0.00 0.02 0.00 0.00 54.97 56.34 2ka7 s GLU 46 Cb -0.26 -2.83 -0.05 0.00 0.10 0.00 0.00 34.13 31.08 2ka7 s GLU 46 CO 0.31 0.38 -0.02 0.14 0.02 0.00 0.00 175.26 176.08 2ka7 s VAL 47 N -1.57 1.02 0.41 2.63 -7.23 0.30 -4.94 120.40 111.03 2ka7 s VAL 47 Ca 0.44 -2.03 0.07 0.00 -1.81 0.00 0.00 61.98 58.64 2ka7 s VAL 47 Cb -0.16 -2.21 -0.06 0.00 0.56 0.00 0.00 36.38 34.51 2ka7 s VAL 47 CO 0.20 -0.43 0.11 -0.54 -0.31 0.00 0.00 175.10 174.13 2ka7 s LYS 48 N -3.84 2.11 0.00 4.82 1.02 -1.26 -1.59 119.74 121.00 2ka7 s LYS 48 Ca 0.25 -1.97 0.00 0.00 0.02 0.00 0.00 55.97 54.28 2ka7 s LYS 48 Cb 0.05 -1.83 0.00 0.00 -0.52 0.00 0.00 37.83 35.53 2ka7 s LYS 48 CO 0.06 -0.10 0.00 0.36 -0.92 0.00 0.00 175.35 174.76 2ka7 n LYS 49 N -1.13 0.00 -1.94 1.68 2.85 -1.21 -1.55 118.16 116.86 2ka7 n LYS 49 Ca -0.03 0.00 -0.04 0.00 -1.05 0.00 0.00 58.31 57.19 2ka7 n LYS 49 Cb 0.66 -0.97 0.04 0.00 -0.65 0.00 0.00 35.03 34.11 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 -0.15 1.34 3.60 2.58 0.00 -0.72 -4.58 105.19 107.27 2ka7 n GLY 50 Ca 0.00 -0.10 -0.42 0.00 0.00 0.00 0.00 46.02 45.50 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 0.07 3.88 0.00 1.61 2.56 -0.59 -4.47 118.70 121.76 2ka7 s GLU 51 Ca 0.05 0.52 0.00 0.00 0.00 0.00 0.00 54.97 55.54 2ka7 s GLU 51 Cb 0.25 -3.77 0.00 0.00 2.00 0.00 0.00 34.13 32.62 2ka7 s GLU 51 CO -0.07 -0.80 0.13 1.55 -0.56 0.00 0.00 175.26 175.51 2ka7 n VAL 52 N 5.72 0.09 0.73 3.70 3.14 -1.24 -0.76 118.33 129.72 2ka7 n VAL 52 Ca 0.05 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.43 2ka7 n VAL 52 Cb 0.48 -0.36 0.00 0.00 -1.06 0.00 0.00 33.84 32.90 2ka7 n VAL 52 CO 0.00 0.00 0.00 1.33 -6.46 0.00 0.00 176.83 171.70 2ka7 n VAL 53 N 0.69 0.00 -2.71 1.55 0.24 -1.14 -3.25 118.33 113.71 2ka7 n VAL 53 Ca 0.00 0.00 -0.04 0.00 -2.04 0.00 0.00 64.34 62.26 2ka7 n VAL 53 Cb 0.07 -0.26 0.10 0.00 -1.47 0.00 0.00 33.84 32.28 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 -0.22 2.47 -1.47 2.33 0.00 -1.24 -3.32 120.51 119.06 2ka7 n ALA 54 Ca 0.00 -1.71 -0.42 0.00 0.00 0.00 0.00 53.44 51.31 2ka7 n ALA 54 Cb 0.04 -0.89 0.01 0.00 0.00 0.00 0.00 19.45 18.60 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 -0.92 -0.61 -3.88 0.00 7.64 -1.20 -3.94 113.62 110.71 2ka7 n SER 55 Ca -0.06 0.94 -0.30 0.00 1.01 0.00 0.00 58.87 60.46 2ka7 n SER 55 Cb 0.85 -1.14 -0.15 0.00 -1.01 0.00 0.00 64.21 62.76 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 -1.42 1.42 -0.10 0.44 1.01 0.53 -0.11 121.20 122.97 2ka7 s ILE 56 Ca 0.63 -1.47 -0.17 0.00 0.00 0.00 0.00 60.65 59.65 2ka7 s ILE 56 Cb -0.61 -1.89 -0.05 0.00 0.01 0.00 0.00 42.46 39.92 2ka7 s ILE 56 CO 0.58 -0.39 0.43 -1.61 0.00 0.00 0.00 174.94 173.95 2ka7 s GLU 57 N 1.39 4.25 0.22 2.79 8.01 -1.10 -0.50 118.70 133.75 2ka7 s GLU 57 Ca 0.03 0.38 0.03 0.00 0.01 0.00 0.00 54.97 55.41 2ka7 s GLU 57 Cb -0.18 -3.39 0.03 0.00 -4.31 0.00 0.00 34.13 26.27 2ka7 s GLU 57 CO -0.12 0.28 0.23 -1.13 0.01 0.00 0.00 175.26 174.52 2ka7 n SER 58 N 3.29 1.23 -0.19 -0.19 3.41 0.12 -2.23 113.62 119.06 2ka7 n SER 58 Ca -0.09 -1.65 0.30 0.00 -0.26 0.00 0.00 58.87 57.16 2ka7 n SER 58 Cb 0.52 -0.09 0.70 0.00 -0.26 0.00 0.00 64.21 65.07 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 0.30 0.31 0.00 -3.33 -1.51 -1.76 -3.26 116.25 107.00 2ka7 h VAL 59 Ca -0.12 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.35 2ka7 h VAL 59 Cb 0.48 0.39 0.00 0.00 -2.13 0.00 0.00 31.29 30.03 2ka7 h VAL 59 CO 0.18 0.00 -0.02 2.29 -1.23 0.00 0.00 177.57 178.79 2ka7 n LYS 60 N -3.86 0.00 -4.27 5.19 2.85 -1.26 -5.12 118.16 111.69 2ka7 n LYS 60 Ca 0.20 -0.05 -0.23 0.00 -1.05 0.00 0.00 58.31 57.18 2ka7 n LYS 60 Cb 1.13 -0.03 -0.07 0.00 -0.65 0.00 0.00 35.03 35.41 2ka7 n LYS 60 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2ka7 n ALA 61 N 0.00 0.60 -3.20 0.58 0.00 -1.23 -5.18 120.51 112.08 2ka7 n ALA 61 Ca 0.00 -1.97 -0.13 0.00 0.00 0.00 0.00 53.44 51.34 2ka7 n ALA 61 Cb 0.51 1.41 -0.13 0.00 0.00 0.00 0.00 19.45 21.23 2ka7 n ALA 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2ka7 s ALA 62 N -3.15 -0.36 -0.22 0.00 0.00 -1.26 -0.70 121.76 116.08 2ka7 s ALA 62 Ca 0.26 0.50 -0.03 0.00 0.00 0.00 0.00 51.96 52.68 2ka7 s ALA 62 Cb 0.01 -0.30 0.07 0.00 0.00 0.00 0.00 23.12 22.90 2ka7 s ALA 62 CO 0.18 -0.09 0.06 0.00 0.00 0.00 0.00 175.76 175.91 2ka7 s ALA 63 N 0.35 0.96 0.45 0.00 0.00 0.34 -4.97 121.76 118.88 2ka7 s ALA 63 Ca -0.02 -0.83 -0.24 0.00 0.00 0.00 0.00 51.96 50.86 2ka7 s ALA 63 Cb -0.04 -1.25 -0.09 0.00 0.00 0.00 0.00 23.12 21.74 2ka7 s ALA 63 CO -0.01 -1.30 1.17 -0.25 0.00 0.00 0.00 175.76 175.36 2ka7 n ASP 64 N 5.07 1.99 -4.16 0.00 9.92 -1.26 -0.34 116.55 127.76 2ka7 n ASP 64 Ca -0.07 1.04 -0.34 0.00 -0.53 0.00 0.00 54.79 54.89 2ka7 n ASP 64 Cb 0.46 -1.45 -0.14 0.00 -0.64 0.00 0.00 41.12 39.34 2ka7 n ASP 64 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 2ka7 s VAL 65 N -1.26 2.70 -0.50 2.53 1.01 -1.25 -4.86 120.40 118.76 2ka7 s VAL 65 Ca 0.64 -1.23 -0.10 0.00 0.00 0.00 0.00 61.98 61.30 2ka7 s VAL 65 Cb -0.50 -2.44 0.13 0.00 0.00 0.00 0.00 36.38 33.56 2ka7 s VAL 65 CO 0.56 0.11 0.39 -0.31 0.00 0.00 0.00 175.10 175.84 2ka7 s TYR 66 N 1.26 3.42 0.12 5.22 2.02 -1.26 -2.90 117.35 125.24 2ka7 s TYR 66 Ca -0.03 -1.86 -0.34 0.00 -0.37 0.00 0.00 57.07 54.48 2ka7 s TYR 66 Cb -0.18 -3.54 -0.18 0.00 -0.40 0.00 0.00 41.96 37.67 2ka7 s TYR 66 CO -0.04 -0.99 0.92 0.00 -1.57 0.00 0.00 175.55 173.87 2ka7 n ALA 67 N 4.83 -2.47 0.20 3.71 0.00 0.06 -4.36 120.51 122.48 2ka7 n ALA 67 Ca -0.07 0.50 0.07 0.00 0.00 0.00 0.00 53.44 53.95 2ka7 n ALA 67 Cb 0.41 -1.80 0.35 0.00 0.00 0.00 0.00 19.45 18.40 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 2.47 0.00 -4.29 0.00 0.13 -1.82 -1.92 132.00 126.58 2ka7 h PRO 68 Ca -0.41 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.55 2ka7 h PRO 68 Cb 1.40 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.39 2ka7 h PRO 68 CO 0.64 0.32 -0.53 -0.51 -0.23 0.00 0.00 178.00 177.69 2ka7 s LEU 69 N -6.84 1.32 -0.21 1.56 1.02 -1.26 -4.61 118.68 109.67 2ka7 s LEU 69 Ca 0.01 -1.16 -0.21 0.00 0.02 0.00 0.00 54.13 52.80 2ka7 s LEU 69 Cb 0.10 0.63 -0.02 0.00 0.02 0.00 0.00 46.19 46.92 2ka7 s LEU 69 CO 0.67 -0.82 0.63 -0.44 0.02 0.00 0.00 176.35 176.40 2ka7 s SER 70 N -3.06 6.67 0.00 2.29 0.01 -1.26 -3.30 113.70 115.05 2ka7 s SER 70 Ca 0.26 0.81 0.00 0.00 1.31 0.00 0.00 55.95 58.33 2ka7 s SER 70 Cb 0.06 -2.35 0.00 0.00 0.21 0.00 0.00 66.02 63.94 2ka7 s SER 70 CO 0.05 -0.29 0.00 0.61 0.41 0.00 0.00 173.24 174.02 2ka7 n GLY 71 N 3.86 1.31 2.93 3.44 0.00 -0.62 -3.40 105.19 112.70 2ka7 n GLY 71 Ca -0.01 -0.67 -0.21 0.00 0.00 0.00 0.00 46.02 45.13 2ka7 n GLY 71 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2ka7 s LYS 72 N 0.59 1.04 0.69 1.61 2.20 -0.91 -0.54 119.74 124.42 2ka7 s LYS 72 Ca 0.00 -0.19 -0.17 0.00 -0.36 0.00 0.00 55.97 55.25 2ka7 s LYS 72 Cb 0.00 -0.97 0.00 0.00 -1.51 0.00 0.00 37.83 35.36 2ka7 s LYS 72 CO 0.00 -0.04 1.15 -0.89 -0.36 0.00 0.00 175.35 175.21 2ka7 n ILE 73 N 3.92 3.80 -0.36 5.43 2.08 0.30 -0.87 119.36 133.66 2ka7 n ILE 73 Ca -0.24 -0.42 0.00 0.00 0.56 0.00 0.00 62.75 62.64 2ka7 n ILE 73 Cb 0.51 -1.30 0.00 0.00 -0.75 0.00 0.00 39.64 38.10 2ka7 n ILE 73 CO 0.00 0.00 0.00 0.55 0.56 0.00 0.00 176.55 177.66 2ka7 n VAL 74 N -2.27 0.00 -3.86 1.39 3.14 -0.72 -3.02 118.33 112.99 2ka7 n VAL 74 Ca 0.15 0.00 -0.11 0.00 -2.96 0.00 0.00 64.34 61.42 2ka7 n VAL 74 Cb 0.49 0.00 -0.09 0.00 -1.06 0.00 0.00 33.84 33.18 2ka7 n VAL 74 CO 0.00 0.00 0.00 -1.61 -6.46 0.00 0.00 176.83 168.76 2ka7 s GLU 75 N 0.00 0.64 -0.04 1.45 2.02 -0.75 -4.96 118.70 117.06 2ka7 s GLU 75 Ca 0.00 -0.57 -0.03 0.00 0.02 0.00 0.00 54.97 54.38 2ka7 s GLU 75 Cb 0.00 0.26 0.01 0.00 0.10 0.00 0.00 34.13 34.51 2ka7 s GLU 75 CO 0.00 -0.18 0.11 0.14 0.02 0.00 0.00 175.26 175.35 2ka7 s VAL 76 N -2.27 -0.01 -0.97 2.63 -7.23 -1.26 -0.49 120.40 110.81 2ka7 s VAL 76 Ca -0.07 0.02 -0.20 0.00 -1.81 0.00 0.00 61.98 59.92 2ka7 s VAL 76 Cb -0.03 -0.16 0.11 0.00 0.56 0.00 0.00 36.38 36.86 2ka7 s VAL 76 CO -0.02 0.01 1.22 0.21 -0.31 0.00 0.00 175.10 176.21 2ka7 s ASN 77 N 0.19 6.62 0.00 4.85 2.47 0.20 -4.83 114.94 124.43 2ka7 s ASN 77 Ca -0.01 -1.94 0.04 0.00 0.42 0.00 0.00 52.86 51.37 2ka7 s ASN 77 Cb -0.02 -2.44 0.19 0.00 -1.45 0.00 0.00 41.25 37.53 2ka7 s ASN 77 CO -0.01 -1.16 1.11 -0.62 -3.72 0.00 0.00 177.10 172.71 2ka7 n GLU 78 N 7.09 0.01 -0.14 0.43 4.71 -1.26 -1.95 120.64 129.53 2ka7 n GLU 78 Ca 0.27 0.39 -0.09 0.00 -0.01 0.00 0.00 57.16 57.72 2ka7 n GLU 78 Cb 0.49 -1.50 -0.00 0.00 -1.01 0.00 0.00 31.44 29.42 2ka7 n GLU 78 CO 0.00 0.00 0.00 0.87 0.09 0.00 0.00 177.13 178.09 2ka7 h LYS 79 N 0.00 0.58 0.00 3.49 1.57 -1.93 -3.16 116.57 117.13 2ka7 h LYS 79 Ca 0.00 -0.09 0.00 0.00 -1.87 0.00 0.00 60.65 58.69 2ka7 h LYS 79 Cb 0.07 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.27 2ka7 h LYS 79 CO 0.00 0.51 0.00 1.28 -0.57 0.00 0.00 179.45 180.67 2ka7 n LEU 80 N -4.69 0.63 0.20 2.94 4.77 -0.82 -0.28 117.00 119.75 2ka7 n LEU 80 Ca 0.00 0.69 0.06 0.00 -0.03 0.00 0.00 56.01 56.73 2ka7 n LEU 80 Cb 0.11 -0.64 0.53 0.00 -2.33 0.00 0.00 43.42 41.09 2ka7 n LEU 80 CO 0.36 -0.66 0.98 -0.78 -1.33 0.00 0.00 177.39 175.97 2ka7 h ASP 81 N 0.00 0.08 0.00 -1.43 3.58 -1.76 -2.80 116.42 114.09 2ka7 h ASP 81 Ca 0.00 -0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.44 2ka7 h ASP 81 Cb 0.27 -0.02 0.00 0.00 1.72 0.00 0.00 39.33 41.30 2ka7 h ASP 81 CO 0.00 0.16 0.00 0.35 -2.88 0.00 0.00 179.24 176.87 2ka7 n THR 82 N -4.40 0.00 -3.30 2.25 -2.24 -0.53 -4.78 114.28 101.28 2ka7 n THR 82 Ca -0.02 -0.14 -0.25 0.00 -2.27 0.00 0.00 64.05 61.37 2ka7 n THR 82 Cb 0.18 1.15 -0.08 0.00 -2.10 0.00 0.00 70.33 69.48 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 -0.22 1.47 0.20 -0.78 -0.58 0.61 -4.91 120.64 116.43 2ka7 n GLU 83 Ca 0.00 -3.84 0.14 0.00 -0.42 0.00 0.00 57.16 53.03 2ka7 n GLU 83 Cb 0.04 -1.67 0.69 0.00 -0.57 0.00 0.00 31.44 29.92 2ka7 n GLU 83 CO 0.00 0.00 0.00 -1.00 -0.48 0.00 0.00 177.13 175.65 2ka7 h PRO 84 N 4.14 0.00 0.00 3.49 0.13 -1.68 -1.29 132.00 136.79 2ka7 h PRO 84 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 2ka7 h PRO 84 Cb 0.79 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.92 2ka7 h PRO 84 CO 0.62 0.00 0.00 1.49 -0.23 0.00 0.00 178.00 179.88 2ka7 h GLU 85 N 0.00 0.00 0.00 0.86 4.22 -1.88 -3.24 114.58 114.53 2ka7 h GLU 85 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.44 2ka7 h GLU 85 Cb 0.13 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.38 2ka7 h GLU 85 CO 0.00 0.00 0.00 -0.07 -2.18 0.00 0.00 179.01 176.76 2ka7 h LEU 86 N 0.00 0.00 -1.62 1.64 3.38 -1.61 0.38 115.31 117.48 2ka7 h LEU 86 Ca 0.00 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 2ka7 h LEU 86 Cb 0.41 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 2ka7 h LEU 86 CO 0.00 0.00 -0.21 0.40 0.09 0.00 0.00 178.44 178.72 2ka7 h ILE 87 N 0.00 1.06 0.19 1.22 2.04 -1.79 0.38 117.51 120.61 2ka7 h ILE 87 Ca 0.00 -0.73 -0.01 0.00 1.00 0.00 0.00 64.86 65.12 2ka7 h ILE 87 Cb 0.23 1.40 0.00 0.00 -0.74 0.00 0.00 36.82 37.71 2ka7 h ILE 87 CO 0.00 0.20 -0.09 0.78 0.00 0.00 0.00 178.15 179.04 2ka7 h ASN 88 N 0.00 -0.22 -0.63 1.72 2.35 -0.49 -2.52 115.58 115.79 2ka7 h ASN 88 Ca -0.00 -0.31 -0.00 0.00 -0.55 0.00 0.00 56.30 55.44 2ka7 h ASN 88 Cb 0.38 0.06 -0.03 0.00 0.05 0.00 0.00 38.32 38.78 2ka7 h ASN 88 CO 0.03 0.26 0.39 0.11 -1.65 0.00 0.00 177.43 176.57 2ka7 h LYS 89 N -0.77 0.85 -0.82 0.81 1.79 -1.32 -3.38 116.57 113.72 2ka7 h LYS 89 Ca -0.03 -0.07 -0.27 0.00 -2.18 0.00 0.00 60.65 58.11 2ka7 h LYS 89 Cb 0.51 -0.18 -0.20 0.00 -1.58 0.00 0.00 32.23 30.78 2ka7 h LYS 89 CO 0.04 0.60 -0.60 -0.25 -1.08 0.00 0.00 179.45 178.15 2ka7 n ASP 90 N -4.61 -2.56 0.04 0.86 8.00 0.10 -5.01 116.55 113.38 2ka7 n ASP 90 Ca 0.05 -3.00 0.19 0.00 0.71 0.00 0.00 54.79 52.73 2ka7 n ASP 90 Cb 0.04 1.31 0.69 0.00 -0.02 0.00 0.00 41.12 43.15 2ka7 n ASP 90 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 2ka7 h PRO 91 N 4.54 0.00 -0.21 -0.24 0.13 -1.53 0.11 132.00 134.79 2ka7 h PRO 91 Ca -0.01 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.12 2ka7 h PRO 91 Cb 1.03 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.16 2ka7 h PRO 91 CO 0.23 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.39 2ka7 n GLU 92 N -4.34 1.98 0.00 0.86 4.71 -1.26 -4.00 120.64 118.59 2ka7 n GLU 92 Ca 0.08 -1.88 0.00 0.00 -0.01 0.00 0.00 57.16 55.35 2ka7 n GLU 92 Cb 0.54 -1.39 0.00 0.00 -1.01 0.00 0.00 31.44 29.58 2ka7 n GLU 92 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2ka7 n GLY 93 N 1.09 0.41 0.19 0.62 0.00 -0.91 -4.92 105.19 101.68 2ka7 n GLY 93 Ca 0.14 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.27 2ka7 n GLY 93 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2ka7 n GLU 94 N -0.34 0.51 -0.69 1.61 -0.58 -1.19 -4.00 120.64 115.96 2ka7 n GLU 94 Ca 0.00 -0.38 -0.06 0.00 -0.42 0.00 0.00 57.16 56.30 2ka7 n GLU 94 Cb 0.00 -1.49 0.18 0.00 -0.57 0.00 0.00 31.44 29.56 2ka7 n GLU 94 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2ka7 n GLY 95 N 1.44 3.08 3.68 0.62 0.00 0.33 -4.89 105.19 109.46 2ka7 n GLY 95 Ca 0.08 -0.64 -0.31 0.00 0.00 0.00 0.00 46.02 45.14 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 -2.11 1.69 -0.16 1.61 1.48 -1.26 -4.43 118.94 115.77 2ka7 s TRP 96 Ca 0.36 1.77 -0.11 0.00 -1.06 0.00 0.00 56.10 57.05 2ka7 s TRP 96 Cb 0.29 -3.34 -0.07 0.00 -1.16 0.00 0.00 33.47 29.18 2ka7 s TRP 96 CO 0.08 -2.76 -0.26 1.28 -4.06 0.00 0.00 176.95 171.24 2ka7 n LEU 97 N -4.09 1.53 -4.01 -4.66 4.77 0.26 -4.69 117.00 106.11 2ka7 n LEU 97 Ca 0.12 0.26 -0.10 0.00 -0.03 0.00 0.00 56.01 56.26 2ka7 n LEU 97 Cb 0.52 -0.60 -0.07 0.00 -2.33 0.00 0.00 43.42 40.94 2ka7 n LEU 97 CO 0.49 0.08 0.04 0.72 -1.33 0.00 0.00 177.39 177.40 2ka7 s PHE 98 N -2.48 0.49 0.10 -1.77 -0.12 -1.05 -0.63 117.98 112.52 2ka7 s PHE 98 Ca -0.25 -0.83 0.06 0.00 -0.05 0.00 0.00 56.93 55.86 2ka7 s PHE 98 Cb 0.08 -0.02 -0.03 0.00 -0.63 0.00 0.00 43.02 42.41 2ka7 s PHE 98 CO 0.33 -0.83 -0.16 0.15 -0.05 0.00 0.00 175.22 174.66 2ka7 s LYS 99 N -4.02 0.99 -0.01 1.99 1.02 0.36 -0.64 119.74 119.42 2ka7 s LYS 99 Ca 0.23 -1.12 -0.05 0.00 0.02 0.00 0.00 55.97 55.05 2ka7 s LYS 99 Cb 0.02 -1.05 0.00 0.00 -0.52 0.00 0.00 37.83 36.28 2ka7 s LYS 99 CO 0.06 0.23 0.11 0.00 -0.92 0.00 0.00 175.35 174.82 2ka7 s MET 100 N -2.09 0.32 0.15 1.68 0.23 -0.73 -1.76 119.30 117.10 2ka7 s MET 100 Ca 0.04 -0.20 -0.31 0.00 -1.03 0.00 0.00 55.69 54.19 2ka7 s MET 100 Cb -0.08 0.13 -0.10 0.00 -1.53 0.00 0.00 34.83 33.25 2ka7 s MET 100 CO 0.03 -0.07 1.62 -2.00 -2.03 0.00 0.00 175.02 172.58 2ka7 s GLU 101 N -0.80 4.19 0.13 3.16 2.12 -0.05 -1.32 118.70 126.13 2ka7 s GLU 101 Ca -0.09 2.41 -0.28 0.00 0.36 0.00 0.00 54.97 57.37 2ka7 s GLU 101 Cb -0.05 -3.25 -0.07 0.00 0.26 0.00 0.00 34.13 31.02 2ka7 s GLU 101 CO 0.01 -0.67 0.90 0.96 -0.54 0.00 0.00 175.26 175.91 2ka7 s ILE 102 N 1.53 4.45 -0.05 -3.70 -4.36 -0.94 -2.13 121.20 115.99 2ka7 s ILE 102 Ca 0.72 1.94 0.20 0.00 -0.26 0.00 0.00 60.65 63.25 2ka7 s ILE 102 Cb -0.44 -4.26 -0.30 0.00 1.25 0.00 0.00 42.46 38.71 2ka7 s ILE 102 CO 0.32 0.39 0.38 -1.20 0.24 0.00 0.00 174.94 175.07 2ka7 n SER 103 N 2.39 0.40 -3.19 4.36 7.64 -1.22 -4.79 113.62 119.22 2ka7 n SER 103 Ca -0.00 0.00 -0.21 0.00 1.01 0.00 0.00 58.87 59.66 2ka7 n SER 103 Cb 0.49 1.77 -0.05 0.00 -1.01 0.00 0.00 64.21 65.41 2ka7 n SER 103 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 2ka7 n ASP 104 N -2.28 0.89 0.00 6.43 5.68 -1.26 -4.86 116.55 121.16 2ka7 n ASP 104 Ca -0.08 -2.94 0.00 0.00 -0.50 0.00 0.00 54.79 51.27 2ka7 n ASP 104 Cb 0.61 -0.63 0.00 0.00 -1.14 0.00 0.00 41.12 39.97 2ka7 n ASP 104 CO 0.00 0.00 0.00 1.21 -1.33 0.00 0.00 177.20 177.08 2ka7 n GLU 105 N 0.72 0.00 0.00 0.11 2.13 -1.26 -1.16 120.64 121.18 2ka7 n GLU 105 Ca 0.24 0.19 -0.01 0.00 0.66 0.00 0.00 57.16 58.25 2ka7 n GLU 105 Cb 0.58 -1.58 -0.11 0.00 0.27 0.00 0.00 31.44 30.61 2ka7 n GLU 105 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2ka7 n GLY 106 N -1.13 -1.14 0.00 8.31 0.00 -1.26 -3.86 105.19 106.12 2ka7 n GLY 106 Ca 0.00 -0.20 0.12 0.00 0.00 0.00 0.00 46.02 45.94 2ka7 n GLY 106 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2ka7 n GLU 107 N -2.80 0.35 0.27 1.61 1.02 -0.31 -3.18 120.64 117.60 2ka7 n GLU 107 Ca -0.13 0.06 0.17 0.00 -0.02 0.00 0.00 57.16 57.24 2ka7 n GLU 107 Cb 0.87 -1.50 0.83 0.00 -0.02 0.00 0.00 31.44 31.62 2ka7 n GLU 107 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 2ka7 h LEU 108 N 0.00 0.00 -0.85 -4.62 3.38 -1.68 -0.57 115.31 110.98 2ka7 h LEU 108 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 2ka7 h LEU 108 Cb 0.22 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.97 2ka7 h LEU 108 CO 0.00 0.00 -0.06 -0.33 0.09 0.00 0.00 178.44 178.14 2ka7 h GLU 109 N 0.00 0.00 0.00 1.13 4.39 -1.84 -2.56 114.58 115.70 2ka7 h GLU 109 Ca 0.05 0.00 -0.10 0.00 0.34 0.00 0.00 59.36 59.66 2ka7 h GLU 109 Cb 0.69 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.33 2ka7 h GLU 109 CO -0.00 0.06 -0.60 0.22 -1.16 0.00 0.00 179.01 177.52 2ka7 h ASP 110 N 0.00 0.00 -3.79 1.42 1.82 -1.37 -3.47 116.42 111.03 2ka7 h ASP 110 Ca -0.00 0.00 -0.49 0.00 -0.39 0.00 0.00 57.03 56.15 2ka7 h ASP 110 Cb 0.75 0.00 0.02 0.00 0.68 0.00 0.00 39.33 40.78 2ka7 h ASP 110 CO 0.01 0.43 0.17 -0.76 -1.61 0.00 0.00 179.24 177.48 2ka7 s LEU 111 N -6.28 3.71 0.15 2.28 1.43 -0.96 -5.02 118.68 113.99 2ka7 s LEU 111 Ca 0.03 1.17 -0.30 0.00 -1.03 0.00 0.00 54.13 54.00 2ka7 s LEU 111 Cb 0.07 -4.09 -0.07 0.00 0.03 0.00 0.00 46.19 42.14 2ka7 s LEU 111 CO 0.75 -0.50 1.10 -0.76 0.23 0.00 0.00 176.35 177.17 2ka7 s LEU 112 N -4.16 4.47 1.42 1.79 2.01 -0.33 -4.84 118.68 119.04 2ka7 s LEU 112 Ca 0.52 2.04 -0.23 0.00 0.01 0.00 0.00 54.13 56.47 2ka7 s LEU 112 Cb -0.10 -3.60 0.36 0.00 0.01 0.00 0.00 46.19 42.86 2ka7 s LEU 112 CO 0.36 -0.25 0.94 -0.62 1.01 0.00 0.00 176.35 177.79 2ka7 s ASP 113 N 0.13 -1.02 0.10 2.29 -1.08 -1.26 -0.90 116.67 114.92 2ka7 s ASP 113 Ca 0.51 0.80 -0.12 0.00 -0.52 0.00 0.00 52.55 53.22 2ka7 s ASP 113 Cb -0.29 -1.12 -0.15 0.00 -1.46 0.00 0.00 42.92 39.90 2ka7 s ASP 113 CO 0.33 -5.33 1.31 -0.08 0.52 0.00 0.00 175.17 171.92 2ka7 h GLU 114 N -3.40 0.80 -0.05 4.34 4.81 -1.96 0.27 114.58 119.40 2ka7 h GLU 114 Ca -0.42 -0.65 -0.01 0.00 -0.13 0.00 0.00 59.36 58.15 2ka7 h GLU 114 Cb 1.34 0.13 -0.00 0.00 0.63 0.00 0.00 28.75 30.85 2ka7 h GLU 114 CO 0.27 1.25 -0.01 0.37 -0.73 0.00 0.00 179.01 180.17 2ka7 h GLN 115 N 0.55 0.09 -0.51 1.92 4.15 -1.98 -3.22 115.11 116.11 2ka7 h GLN 115 Ca -0.05 -0.03 0.05 0.00 0.77 0.00 0.00 58.65 59.39 2ka7 h GLN 115 Cb 1.40 -0.01 -0.03 0.00 0.21 0.00 0.00 27.48 29.06 2ka7 h GLN 115 CO 0.16 0.42 0.34 0.00 -1.93 0.00 0.00 178.83 177.81 2ka7 h ALA 116 N 0.67 1.87 -0.73 3.38 0.00 -1.86 -1.50 119.26 121.08 2ka7 h ALA 116 Ca 0.01 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 2ka7 h ALA 116 Cb 0.38 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 2ka7 h ALA 116 CO 0.00 0.05 0.37 -0.92 0.00 0.00 0.00 179.25 178.75 2ka7 h TYR 117 N 0.48 1.01 -0.06 0.00 3.20 -0.48 0.04 116.97 121.17 2ka7 h TYR 117 Ca 0.22 -0.03 -0.09 0.00 3.14 0.00 0.00 58.73 61.97 2ka7 h TYR 117 Cb 0.25 -0.32 0.00 0.00 1.54 0.00 0.00 36.73 38.21 2ka7 h TYR 117 CO -0.00 0.72 -0.31 1.96 -1.64 0.00 0.00 178.16 178.90 2ka7 h GLN 118 N 1.02 0.31 -0.72 1.82 1.08 -1.36 -3.15 115.11 114.11 2ka7 h GLN 118 Ca 0.25 -0.26 0.16 0.00 -1.45 0.00 0.00 58.65 57.36 2ka7 h GLN 118 Cb 0.07 0.05 -0.12 0.00 -0.05 0.00 0.00 27.48 27.44 2ka7 h GLN 118 CO -0.04 0.91 0.08 1.49 -0.95 0.00 0.00 178.83 180.32 2ka7 h GLU 119 N -0.21 0.17 -0.63 1.46 4.81 -1.10 -0.36 114.58 118.72 2ka7 h GLU 119 Ca -0.02 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.19 2ka7 h GLU 119 Cb 0.97 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 30.28 2ka7 h GLU 119 CO 0.06 0.11 0.38 0.35 -0.73 0.00 0.00 179.01 179.19 2ka7 h PHE 120 N 0.18 0.83 0.00 0.92 3.57 -1.05 -2.88 116.94 118.50 2ka7 h PHE 120 Ca 0.40 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.90 2ka7 h PHE 120 Cb 0.68 -0.27 0.00 0.00 2.79 0.00 0.00 35.95 39.15 2ka7 h PHE 120 CO -0.34 0.56 0.00 0.00 -2.23 0.00 0.00 178.31 176.31 2ka7 h ALA 122 N 2.08 0.96 0.00 0.00 0.00 -1.30 -3.31 119.26 117.70 2ka7 h ALA 122 Ca 0.00 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 2ka7 h ALA 122 Cb 0.28 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 2ka7 h ALA 122 CO 0.00 0.09 -0.41 0.00 0.00 0.00 0.00 179.25 178.94 2ka7 n GLN 123 N -3.13 1.47 0.00 0.00 10.64 0.09 -5.15 117.38 121.30 2ka7 n GLN 123 Ca 0.03 -3.10 0.14 0.00 -1.83 0.00 0.00 57.00 52.23 2ka7 n GLN 123 Cb 0.50 -1.54 0.47 0.00 -0.86 0.00 0.00 30.24 28.81 2ka7 n GLN 123 CO 0.00 0.00 0.00 -1.91 -1.83 0.00 0.00 177.06 173.32